methyl 4-[(3Z)-5,5-dicyano-3-(piperidin-1-ylmethylidene)pent-4-enyl]benzoate

Systemtic Name: methyl 4-[(3Z)-5,5-dicyano-3-(piperidin-1-ylmethylidene)pent-4-enyl]benzoate Openeye Name: methyl 4-[(3Z)-5,5-dicyano-3-(1-piperidylmethylene)pent-4-enyl]benzoate CAS Name: 4-[(3Z)-5,5-dicyano-3-(1-piperidinylmethylidene)pent-4-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3Z)-5,5-dicyano-3-(piperidin-1-ylmethylidene)pent-4-enyl]benzoate Traditional Name: 4-[(3Z)-5,5-dicyano-3-(piperidinomethylene)pent-4-enyl]benzoic acid methyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC(=CN2CCCCC2)C=C(C#N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC/C(=C/N2CCCCC2)/C=C(C#N)C#N

InChI

InChI=1S/C21H23N3O2/c1-26-21(25)20-9-7-17(8-10-20)5-6-18(13-19(14-22)15-23)16-24-11-3-2-4-12-24/h7-10,13,16H,2-6,11-12H2,1H3/b18-16-