methyl (1S,6S)-1-benzamido-6-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,6S)-1-benzamido-6-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,6S)-1-benzamido-6-(6-chloro-3-pyridyl)-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1S,6S)-1-benzamido-6-(6-chloro-3-pyridinyl)-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6S)-1-benzamido-6-(6-chloropyridin-3-yl)-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1S,6S)-1-benzamido-6-(6-chloro-3-pyridyl)-4-keto-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=CC(=O)CC1C2=CN=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@]1(C=CC(=O)C[C@H]1C2=CN=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O4/c1-27-19(26)20(23-18(25)13-5-3-2-4-6-13)10-9-15(24)11-16(20)14-7-8-17(21)22-12-14/h2-10,12,16H,11H2,1H3,(H,23,25)/t16-,20-/m0/s1