3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-isopentylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(3-methylbutyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-isoamylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CCN1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H31N3O2/c1-19(2)12-13-28-14-16-29(17-15-28)18-22-24(26(30)31)21-10-6-7-11-23(21)27-25(22)20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3,(H,30,31)