methyl (1S,6R)-6-methyl-4-[(4-methylphenyl)methylamino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-6-methyl-4-[(4-methylphenyl)methylamino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-6-methyl-2-oxo-4-(p-tolylmethylamino)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-methyl-4-[(4-methylphenyl)methylamino]-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-6-methyl-4-[(4-methylphenyl)methylamino]-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-6-methyl-4-[(4-methylbenzyl)amino]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NCC2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C17H21NO3/c1-11-4-6-13(7-5-11)10-18-14-8-12(2)16(15(19)9-14)17(20)21-3/h4-7,9,12,16,18H,8,10H2,1-3H3/t12-,16+/m1/s1