
 CID 15005338

 70 74  0  0  0  0  0  0  0  0999 V2000
    3.3352   -0.6710   -2.2286 C   0  0  0  0  0
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    2.5597    2.8574    2.1562 C   0  0  0  0  0
   -0.8208    3.5257    3.8028 C   0  0  0  0  0
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    9.5062    8.4755    3.0402 H   0  0  0  0  0
    7.8106    7.3028    4.4554 H   0  0  0  0  0
    6.4254    5.5134    3.3921 H   0  0  0  0  0
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    4.4738    7.5763   -1.4452 H   0  0  0  0  0
    6.2197    7.5710   -1.2773 H   0  0  0  0  0
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    1.5060    2.0624    3.8417 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CID 15005338

>  <PubChem CID>
15005338

>  <Formula>
C33H29ClN4O3

>  <Molecular Weight>
565.070000

>  <IUPAC Name>
ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylpyridin-3-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)C5=C(N=CC=C5)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)C5=C(N=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C33H29ClN4O3/c1-4-41-33(40)30-29(25-10-5-6-12-26(25)34)28(32(39)38-27-13-7-8-18-36-27)21(3)37-31(30)23-16-14-22(15-17-23)24-11-9-19-35-20(24)2/h5-19,29,37H,4H2,1-3H3,(H,36,38,39)

>  <InChI Key>
ARABSXBGVKXIKD-UHFFFAOYSA-N

