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

Systemtic Name: methyl 4-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-[3-(1-imidazolyl)propylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCCCN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C18H18N4O3/c1-25-18(24)15-5-3-14(4-6-15)11-16(12-19)17(23)21-7-2-9-22-10-8-20-13-22/h3-6,8,10-11,13H,2,7,9H2,1H3,(H,21,23)/b16-11+