(1R,6S)-3,4-dimethyl-6-[(5-methylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[(5-methylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-[(5-methyl-2-pyridyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[[(5-methyl-2-pyridinyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-[(5-methylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-[(5-methyl-2-pyridyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=NC=C(C=C2)C)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=NC=C(C=C2)C)C(=O)O)C

InChI

InChI=1S/C16H20N2O3/c1-9-4-5-14(17-8-9)18-15(19)12-6-10(2)11(3)7-13(12)16(20)21/h4-5,8,12-13H,6-7H2,1-3H3,(H,20,21)(H,17,18,19)/t12-,13+/m0/s1