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

Systemtic Name: ethyl (1S,6R)-4-[(3-methoxyphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(3-methoxyanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-methoxyanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(3-methoxyanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-4-(m-anisidino)-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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