methyl (1S,6R)-4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-4-(2-benzoyl-4-chloro-anilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(2-benzoyl-4-chloroanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-4-(2-benzoyl-4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(2-benzoyl-4-chloro-anilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO4/c1-13-10-16(12-19(25)20(13)22(27)28-2)24-18-9-8-15(23)11-17(18)21(26)14-6-4-3-5-7-14/h3-9,11-13,20,24H,10H2,1-2H3/t13-,20+/m1/s1