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

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[[(3-methylphenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-3,4-dimethyl-6-[[(3-methylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-3,4-dimethyl-6-[[[(3-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-3,4-dimethyl-6-[[(3-methylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-3,4-dimethyl-6-[(m-toluoylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H21N2O4- MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-10-5-4-6-13(7-10)16(21)19-20-17(22)14-8-11(2)12(3)9-15(14)18(23)24/h4-7,14-15H,8-9H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t14-,15+/m1/s1