(E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-[(2,4-dimethoxyanilino)-oxomethyl]-1-indolyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-keto-but-2-enoic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)C(=O)C=CC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)C(=O)/C=C/C(=O)O)OC

InChI

InChI=1S/C21H18N2O6/c1-28-13-7-8-16(18(11-13)29-2)22-21(27)15-12-23(19(24)9-10-20(25)26)17-6-4-3-5-14(15)17/h3-12H,1-2H3,(H,22,27)(H,25,26)/b10-9+