2-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[2-(4-phenylpiperazino)ethyl]cinchoninic acid Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c32-28(33)26-23-13-7-8-14-25(23)29-27(21-9-3-1-4-10-21)24(26)15-16-30-17-19-31(20-18-30)22-11-5-2-6-12-22/h1-14H,15-20H2,(H,32,33)