2-[3-(piperazin-1-ylmethyl)quinolin-2-yl]benzoic acid

Systemtic Name: 2-[3-(piperazin-1-ylmethyl)quinolin-2-yl]benzoic acid Openeye Name: 2-[3-(piperazin-1-ylmethyl)-2-quinolyl]benzoic acid CAS Name: 2-[3-(1-piperazinylmethyl)-2-quinolinyl]benzoic acid IUPAC Name: 2-[3-(piperazin-1-ylmethyl)quinolin-2-yl]benzoic acid Traditional Name: 2-[3-(piperazinomethyl)-2-quinolyl]benzoic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC3=CC=CC=C3N=C2C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1)CC2=CC3=CC=CC=C3N=C2C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H21N3O2/c25-21(26)18-7-3-2-6-17(18)20-16(14-24-11-9-22-10-12-24)13-15-5-1-4-8-19(15)23-20/h1-8,13,22H,9-12,14H2,(H,25,26)