ethyl 4-[[(4S,5R)-4-ethoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: ethyl 4-[[(4S,5R)-4-ethoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: ethyl 4-[[(4S,5R)-4-ethoxycarbonyl-5-methyl-3-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 4-[[(4S,5R)-4-ethoxycarbonyl-5-methyl-3-oxo-1-cyclohexenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4S,5R)-4-ethoxycarbonyl-5-methyl-3-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 4-[[(4S,5R)-4-carbethoxy-3-keto-5-methyl-cyclohexen-1-yl]amino]benzoic acid ethyl ester Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5/c1-4-24-18(22)13-6-8-14(9-7-13)20-15-10-12(3)17(16(21)11-15)19(23)25-5-2/h6-9,11-12,17,20H,4-5,10H2,1-3H3/t12-,17+/m1/s1