(1R,6S)-3,4-dimethyl-6-(pyridin-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(pyridin-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-(4-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-(pyridin-4-ylmethylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-(pyridin-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-(4-pyridylmethylcarbamoyl)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)NCC2=CC=NC=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NCC2=CC=NC=C2)C(=O)O)C

InChI

InChI=1S/C16H20N2O3/c1-10-7-13(14(16(20)21)8-11(10)2)15(19)18-9-12-3-5-17-6-4-12/h3-6,13-14H,7-9H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m0/s1