[4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O3/c25-16-21(23(27)26-17-19-7-3-1-4-8-19)15-18-11-13-22(14-12-18)29-24(28)20-9-5-2-6-10-20/h1,3-4,7-8,11-15,20H,2,5-6,9-10,17H2,(H,26,27)/b21-15+