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

Systemtic Name: ethyl (1S,6R)-4-[(3-ethylphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(3-ethylanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-ethylanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(3-ethylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3-ethylanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC2=CC(=O)C(C(C2)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC2=CC(=O)[C@H]([C@@H](C2)C)C(=O)OCC

InChI

InChI=1S/C18H23NO3/c1-4-13-7-6-8-14(10-13)19-15-9-12(3)17(16(20)11-15)18(21)22-5-2/h6-8,10-12,17,19H,4-5,9H2,1-3H3/t12-,17+/m1/s1