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

Systemtic Name: (1R,6R)-4-chloranyl-6-[(4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-4-chloro-6-(p-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-4-chloro-6-[(4-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-4-chloro-6-[(4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-4-chloro-6-(p-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C15H15ClNO3- MolecularWeight: 292.7375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CC(=CCC2C(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=CC[C@H]2C(=O)[O-])Cl

InChI

InChI=1S/C15H16ClNO3/c1-9-2-5-11(6-3-9)17-14(18)13-8-10(16)4-7-12(13)15(19)20/h2-6,12-13H,7-8H2,1H3,(H,17,18)(H,19,20)/p-1/t12-,13-/m1/s1