3-[[2-cyano-3-[1-[(2-cyanophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[1-[(2-cyanophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-[(2-cyanophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-[(2-cyanophenyl)methyl]-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-[(2-cyanophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[1-(2-cyanobenzyl)indol-3-yl]acryloyl]amino]benzoic acid Formula: C27H18N4O3 MolecularWeight: 446.45682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O)C#N

InChI

InChI=1S/C27H18N4O3/c28-14-19-6-1-2-7-20(19)16-31-17-22(24-10-3-4-11-25(24)31)12-21(15-29)26(32)30-23-9-5-8-18(13-23)27(33)34/h1-13,17H,16H2,(H,30,32)(H,33,34)