(1S,6R)-6-[(2-chloranylpyridin-3-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(2-chloranylpyridin-3-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(2-chloro-3-pyridyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(2-chloro-3-pyridinyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(2-chloropyridin-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(2-chloro-3-pyridyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=C(N=CC=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=C(N=CC=C2)Cl)C(=O)O)C

InChI

InChI=1S/C15H17ClN2O3/c1-8-6-10(11(15(20)21)7-9(8)2)14(19)18-12-4-3-5-17-13(12)16/h3-5,10-11H,6-7H2,1-2H3,(H,18,19)(H,20,21)/t10-,11+/m1/s1