[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O4/c22-15-8-6-14(7-9-15)19(25)10-11-21(27)28-13-20(26)24-18-5-1-4-17-16(18)3-2-12-23-17/h1-9,12H,10-11,13H2,(H,24,26)