(1R,6S)-6-[[(3-chlorophenyl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[[(3-chlorophenyl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[[(3-chlorobenzoyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[(3-chlorophenyl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[[(3-chlorobenzoyl)amino]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[[(3-chlorobenzoyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4/c1-9-6-13(14(17(23)24)7-10(9)2)16(22)20-19-15(21)11-4-3-5-12(18)8-11/h3-5,8,13-14H,6-7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t13-,14+/m0/s1