ethyl 4-[[(3S)-3-(4-chlorophenyl)-5-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: ethyl 4-[[(3S)-3-(4-chlorophenyl)-5-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: ethyl 4-[[(3S)-3-(4-chlorophenyl)-5-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 4-[[(3S)-3-(4-chlorophenyl)-5-oxo-1-cyclohexenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-(4-chlorophenyl)-5-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 4-[[(3S)-3-(4-chlorophenyl)-5-keto-cyclohexen-1-yl]amino]benzoic acid ethyl ester Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=CC(CC(=O)C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C[C@H](CC(=O)C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO3/c1-2-26-21(25)15-5-9-18(10-6-15)23-19-11-16(12-20(24)13-19)14-3-7-17(22)8-4-14/h3-11,16,23H,2,12-13H2,1H3/t16-/m1/s1