methyl 2-[3-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate Openeye Name: methyl 2-[3-[(E)-2-cyano-3-(2-ethylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-2-cyano-3-(2-ethylanilino)-3-keto-prop-1-enyl]indol-1-yl]acetic acid methyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OC)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)OC)/C#N

InChI

InChI=1S/C23H21N3O3/c1-3-16-8-4-6-10-20(16)25-23(28)17(13-24)12-18-14-26(15-22(27)29-2)21-11-7-5-9-19(18)21/h4-12,14H,3,15H2,1-2H3,(H,25,28)/b17-12+