
 SCHEMBL15875079

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M  END

>  <Chemical Name>
SCHEMBL15875079

>  <PubChem CID>
78320095

>  <Formula>
C30H40N2O3

>  <Molecular Weight>
476.661000

>  <IUPAC Name>
methyl 4-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentanecarbonyl]amino]butanoate

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)C(=O)NCCCC(=O)OC

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)C(=O)NCCCC(=O)OC

>  <InChI Std. ID>
InChI=1S/C30H40N2O3/c1-23-7-6-21-32(23)22-17-24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(18-3-4-19-30)29(34)31-20-5-8-28(33)35-2/h9-16,23H,3-8,17-22H2,1-2H3,(H,31,34)/t23-/m1/s1

>  <InChI Key>
AHNFQSQROYKANS-HSZRJFAPSA-N

