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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=CC=CC(=C2)C)C

InChI

InChI=1S/C17H21NO3/c1-4-21-17(20)16-12(3)9-14(10-15(16)19)18-13-7-5-6-11(2)8-13/h5-8,10,12,16,18H,4,9H2,1-3H3/t12-,16+/m1/s1