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

Systemtic Name: ethyl (1S,6R)-4-[(3-cyanophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(3-cyanoanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-cyanoanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(3-cyanoanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3-cyanoanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-3-22-17(21)16-11(2)7-14(9-15(16)20)19-13-6-4-5-12(8-13)10-18/h4-6,8-9,11,16,19H,3,7H2,1-2H3/t11-,16+/m1/s1