methyl 6,6-dimethyl-2-oxidanylidene-4-[(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6,6-dimethyl-2-oxidanylidene-4-[(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(benzylamino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-2-oxo-4-[(phenylmethyl)amino]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(benzylamino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1C(=O)OC)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=CC(=O)C1C(=O)OC)NCC2=CC=CC=C2)C

InChI

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