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

Systemtic Name: 3-[[2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-[1-(phenylmethyl)-3-indolyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(1-benzylindol-3-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C26H19N3O3 MolecularWeight: 421.44736

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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

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

InChI

InChI=1S/C26H19N3O3/c27-15-20(25(30)28-22-10-6-9-19(14-22)26(31)32)13-21-17-29(16-18-7-2-1-3-8-18)24-12-5-4-11-23(21)24/h1-14,17H,16H2,(H,28,30)(H,31,32)