3-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzoic acid

Systemtic Name: 3-[4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinolin-6-yl]benzoic acid Openeye Name: 3-[4-[4-(4-methylpiperazin-1-yl)anilino]-6-quinolyl]benzoic acid CAS Name: 3-[4-[4-(4-methyl-1-piperazinyl)anilino]-6-quinolinyl]benzoic acid IUPAC Name: 3-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]benzoic acid Traditional Name: 3-[4-[4-(4-methylpiperazino)anilino]-6-quinolyl]benzoic acid Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C27H26N4O2/c1-30-13-15-31(16-14-30)23-8-6-22(7-9-23)29-26-11-12-28-25-10-5-20(18-24(25)26)19-3-2-4-21(17-19)27(32)33/h2-12,17-18H,13-16H2,1H3,(H,28,29)(H,32,33)