(1R,6S)-6-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(4-chloro-2-methoxy-5-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H17ClNO4- MolecularWeight: 322.76348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H18ClNO4/c1-9-7-13(14(22-2)8-12(9)17)18-15(19)10-5-3-4-6-11(10)16(20)21/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,18,19)(H,20,21)/p-1/t10-,11+/m0/s1