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

Systemtic Name: methyl (1S,6R)-4-[(2-ethylphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-4-(2-ethylanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(2-ethylanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-4-(2-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(2-ethylanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=CC(=O)C(C(C2)C)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC2=CC(=O)[C@H]([C@@H](C2)C)C(=O)OC

InChI

InChI=1S/C17H21NO3/c1-4-12-7-5-6-8-14(12)18-13-9-11(2)16(15(19)10-13)17(20)21-3/h5-8,10-11,16,18H,4,9H2,1-3H3/t11-,16+/m1/s1