ethyl (1S,6R)-4-[(2-methoxy-5-methyl-phenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6R)-4-[(2-methoxy-5-methyl-phenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(2-methoxy-5-methyl-anilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(2-methoxy-5-methylanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(2-methoxy-5-methylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-4-(2-methoxy-5-methyl-anilino)-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-5-23-18(21)17-12(3)9-13(10-15(17)20)19-14-8-11(2)6-7-16(14)22-4/h6-8,10,12,17,19H,5,9H2,1-4H3/t12-,17+/m1/s1