4-[5-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]quinolin-8-yl]benzoic acid

Systemtic Name: 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]quinolin-8-yl]benzoic acid Openeye Name: 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-8-quinolyl]benzoic acid CAS Name: 4-[5-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-8-quinolinyl]benzoic acid IUPAC Name: 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinolin-8-yl]benzoic acid Traditional Name: 4-[5-[3-keto-3-(4-methylpiperazino)propyl]-8-quinolyl]benzoic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H25N3O3/c1-26-13-15-27(16-14-26)22(28)11-9-18-8-10-21(23-20(18)3-2-12-25-23)17-4-6-19(7-5-17)24(29)30/h2-8,10,12H,9,11,13-16H2,1H3,(H,29,30)