methyl 4-oxidanylidene-2-[phenyl-(phenylmethyl)amino]cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[phenyl-(phenylmethyl)amino]cyclohex-2-ene-1-carboxylate Openeye Name: methyl 2-(N-benzylanilino)-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 4-oxo-2-(N-(phenylmethyl)anilino)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 2-(N-benzylanilino)-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 2-(N-benzylanilino)-4-keto-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)C=C1N(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCC(=O)C=C1N(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-25-21(24)19-13-12-18(23)14-20(19)22(17-10-6-3-7-11-17)15-16-8-4-2-5-9-16/h2-11,14,19H,12-13,15H2,1H3