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

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(4-methoxycarbonyl-2-methyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(4-methoxycarbonyl-2-methyl-anilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(4-methoxycarbonyl-2-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(4-methoxycarbonyl-2-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-carbomethoxy-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C23H19N3O5/c1-14-9-15(23(30)31-2)7-8-19(14)25-22(29)16(11-24)10-17-12-26(13-21(27)28)20-6-4-3-5-18(17)20/h3-10,12H,13H2,1-2H3,(H,25,29)(H,27,28)/b16-10+