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

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(pyridin-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-3,4-dimethyl-6-(3-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-(3-pyridinylmethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-(pyridin-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-3,4-dimethyl-6-(3-pyridylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CN=CC=C2)C(=O)[O-])C

Isomeric SMILES

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

InChI

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