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

Systemtic Name: methyl (1S,6R)-4-[(2-methoxy-5-methyl-phenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-10-5-6-15(21-3)13(7-10)18-12-8-11(2)16(14(19)9-12)17(20)22-4/h5-7,9,11,16,18H,8H2,1-4H3/t11-,16+/m1/s1