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

Systemtic Name: (1S,6R)-4-chloranyl-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-4-chloro-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-chloro-6-[(2,5-dimethylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-4-chloro-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-chloro-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H17ClNO3- MolecularWeight: 306.76408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO3/c1-9-3-4-10(2)14(7-9)18-15(19)13-8-11(17)5-6-12(13)16(20)21/h3-5,7,12-13H,6,8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m0/s1