ethyl (2E,4Z)-5-(azepan-1-yl)-5-(4-chlorophenyl)-2-cyano-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4Z)-5-(azepan-1-yl)-5-(4-chlorophenyl)-2-cyano-penta-2,4-dienoate Openeye Name: ethyl (2E,4Z)-5-(azepan-1-yl)-5-(4-chlorophenyl)-2-cyano-penta-2,4-dienoate CAS Name: (2E,4Z)-5-(1-azepanyl)-5-(4-chlorophenyl)-2-cyanopenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4Z)-5-(azepan-1-yl)-5-(4-chlorophenyl)-2-cyanopenta-2,4-dienoate Traditional Name: (2E,4Z)-5-(azepan-1-yl)-5-(4-chlorophenyl)-2-cyano-penta-2,4-dienoic acid ethyl ester Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)N2CCCCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C1=CC=C(C=C1)Cl)\N2CCCCCC2)/C#N

InChI

InChI=1S/C20H23ClN2O2/c1-2-25-20(24)17(15-22)9-12-19(16-7-10-18(21)11-8-16)23-13-5-3-4-6-14-23/h7-12H,2-6,13-14H2,1H3/b17-9+,19-12-