PDB CCD ID: | AUQ |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H16 I N O3 |
InChI: | InChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1 |
InChIKey: | OTYVYTRAYJQPRW-NSHDSACASA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.6 | C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC | CACTVS 3.385 | COc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 | CACTVS 3.385 | COc1ccc(O[CH](C)C(=O)Nc2ccc(I)cc2)cc1 | OpenEye OEToolkits 2.0.6 | CC(C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC |
|
Name: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide |
ZINC: | ZINC000002848101 |