methyl 5-oxidanylidene-3-[phenyl-(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 5-oxidanylidene-3-[phenyl-(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-(N-benzylanilino)-5-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 5-oxo-3-(N-(phenylmethyl)anilino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-(N-benzylanilino)-5-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-(N-benzylanilino)-5-keto-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=CC(=O)C1)N(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(=CC(=O)C1)N(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

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