methyl 2-[3-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate Openeye Name: methyl 2-[3-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(p-anisylamino)prop-1-enyl]indol-1-yl]acetic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)OC)/C#N

InChI

InChI=1S/C23H21N3O4/c1-29-19-9-7-16(8-10-19)13-25-23(28)17(12-24)11-18-14-26(15-22(27)30-2)21-6-4-3-5-20(18)21/h3-11,14H,13,15H2,1-2H3,(H,25,28)/b17-11+