2-[3-[(E)-2-cyano-3-[(5-methoxy-2-methyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(5-methoxy-2-methyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(5-methoxy-2-methyl-anilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(5-methoxy-2-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(5-methoxy-2-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(5-methoxy-2-methyl-anilino)prop-1-enyl]indol-1-yl]acetic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4/c1-14-7-8-17(29-2)10-19(14)24-22(28)15(11-23)9-16-12-25(13-21(26)27)20-6-4-3-5-18(16)20/h3-10,12H,13H2,1-2H3,(H,24,28)(H,26,27)/b15-9+