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

Systemtic Name: ethyl (1S,6R)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(3-chloro-4-methoxy-anilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-chloro-4-methoxyanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(3-chloro-4-methoxyanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3-chloro-4-methoxy-anilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=C(C=C2)OC)Cl)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=CC(=C(C=C2)OC)Cl)C

InChI

InChI=1S/C17H20ClNO4/c1-4-23-17(21)16-10(2)7-12(9-14(16)20)19-11-5-6-15(22-3)13(18)8-11/h5-6,8-10,16,19H,4,7H2,1-3H3/t10-,16+/m1/s1