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

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(3-phenylmethoxyphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-3-(3-benzyloxyanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(3-phenylmethoxyanilino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(3-phenylmethoxyanilino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(3-benzoxyanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/C#N

InChI

InChI=1S/C27H21N3O4/c28-15-20(13-21-16-30(17-26(31)32)25-12-5-4-11-24(21)25)27(33)29-22-9-6-10-23(14-22)34-18-19-7-2-1-3-8-19/h1-14,16H,17-18H2,(H,29,33)(H,31,32)/b20-13+