4-[[6-[(4-methylpiperazin-1-yl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(4-methylpiperazin-1-yl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-methylpiperazin-1-yl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-methyl-1-piperazinyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-methylpiperazin-1-yl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[(4-methylpiperazino)methylcarbamoyl]-1H-quinolin-3-yl]methyl]benzoic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H26N4O4/c1-27-8-10-28(11-9-27)15-26-23(30)18-6-7-21-20(13-18)22(29)19(14-25-21)12-16-2-4-17(5-3-16)24(31)32/h2-7,13-14H,8-12,15H2,1H3,(H,25,29)(H,26,30)(H,31,32)