methyl 4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(cycloheptylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCCC2

InChI

InChI=1S/C19H22N2O3/c1-24-19(23)15-10-8-14(9-11-15)12-16(13-20)18(22)21-17-6-4-2-3-5-7-17/h8-12,17H,2-7H2,1H3,(H,21,22)/b16-12+