[2-oxidanylidene-5-[1-oxidanyl-2-[(phenylmethyl)amino]butyl]-1H-quinolin-8-yl] 4-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-[(phenylmethyl)amino]butyl]-1H-quinolin-8-yl] 4-chloranylbenzoate Openeye Name: [5-[2-(benzylamino)-1-hydroxy-butyl]-2-oxo-1H-quinolin-8-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-[1-hydroxy-2-[(phenylmethyl)amino]butyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[2-(benzylamino)-1-hydroxybutyl]-2-oxo-1H-quinolin-8-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-[2-(benzylamino)-1-hydroxy-butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)Cl)O)NCC4=CC=CC=C4

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)Cl)O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H25ClN2O4/c1-2-22(29-16-17-6-4-3-5-7-17)26(32)21-12-14-23(25-20(21)13-15-24(31)30-25)34-27(33)18-8-10-19(28)11-9-18/h3-15,22,26,29,32H,2,16H2,1H3,(H,30,31)