methyl 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/C#N

InChI

InChI=1S/C22H18N2O3/c1-3-15-5-4-6-18-19(13-24-20(15)18)21(25)17(12-23)11-14-7-9-16(10-8-14)22(26)27-2/h4-11,13,24H,3H2,1-2H3/b17-11+