(1S,6S)-3,4-dimethyl-6-[(3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-3,4-dimethyl-6-[(3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-3,4-dimethyl-6-(m-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-3,4-dimethyl-6-[(3-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-3,4-dimethyl-6-[(3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-3,4-dimethyl-6-(m-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=CC(=C2)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=CC(=C2)C)C(=O)[O-])C

InChI

InChI=1S/C17H21NO3/c1-10-5-4-6-13(7-10)18-16(19)14-8-11(2)12(3)9-15(14)17(20)21/h4-7,14-15H,8-9H2,1-3H3,(H,18,19)(H,20,21)/p-1/t14-,15-/m0/s1