4-[1-[3-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]benzoic acid

Systemtic Name: 4-[1-[3-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]benzoic acid Openeye Name: 4-[1-[3-(4-amino-1-piperidyl)-2-quinolyl]benzimidazol-5-yl]benzoic acid CAS Name: 4-[1-[3-(4-amino-1-piperidinyl)-2-quinolinyl]-5-benzimidazolyl]benzoic acid IUPAC Name: 4-[1-[3-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]benzoic acid Traditional Name: 4-[1-[3-(4-aminopiperidino)-2-quinolyl]benzimidazol-5-yl]benzoic acid Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC3=CC=CC=C3N=C2N4C=NC5=C4C=CC(=C5)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1CN(CCC1N)C2=CC3=CC=CC=C3N=C2N4C=NC5=C4C=CC(=C5)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C28H25N5O2/c29-22-11-13-32(14-12-22)26-16-21-3-1-2-4-23(21)31-27(26)33-17-30-24-15-20(9-10-25(24)33)18-5-7-19(8-6-18)28(34)35/h1-10,15-17,22H,11-14,29H2,(H,34,35)