[5-[2-(2,5-dimethylpiperazin-1-yl)-1-oxidanyl-butyl]-2-oxidanylidene-1H-quinolin-8-yl] 4-methylbenzoate

Systemtic Name: [5-[2-(2,5-dimethylpiperazin-1-yl)-1-oxidanyl-butyl]-2-oxidanylidene-1H-quinolin-8-yl] 4-methylbenzoate Openeye Name: [5-[2-(2,5-dimethylpiperazin-1-yl)-1-hydroxy-butyl]-2-oxo-1H-quinolin-8-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-[2-(2,5-dimethyl-1-piperazinyl)-1-hydroxybutyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[2-(2,5-dimethylpiperazin-1-yl)-1-hydroxybutyl]-2-oxo-1H-quinolin-8-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-[2-(2,5-dimethylpiperazino)-1-hydroxy-butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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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)C)O)N4CC(NCC4C)C

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)C)O)N4CC(NCC4C)C

InChI

InChI=1S/C27H33N3O4/c1-5-22(30-15-17(3)28-14-18(30)4)26(32)21-10-12-23(25-20(21)11-13-24(31)29-25)34-27(33)19-8-6-16(2)7-9-19/h6-13,17-18,22,26,28,32H,5,14-15H2,1-4H3,(H,29,31)