2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(4-phenylphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(4-phenylphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-oxo-3-(4-phenylanilino)prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(4-phenylanilino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(4-phenylanilino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(4-phenylanilino)prop-1-enyl]indol-1-yl]acetic acid Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/C#N

InChI

InChI=1S/C26H19N3O3/c27-15-20(14-21-16-29(17-25(30)31)24-9-5-4-8-23(21)24)26(32)28-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-14,16H,17H2,(H,28,32)(H,30,31)/b20-14+