2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Openeye Name: 2-[[1-(o-tolylmethyl)-4-piperidyl]methylamino]quinoline-4-carboxylic acid CAS Name: 2-[[1-[(2-methylphenyl)methyl]-4-piperidinyl]methylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Traditional Name: 2-[[1-(2-methylbenzyl)-4-piperidyl]methylamino]cinchoninic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)CNC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)CNC3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C24H27N3O2/c1-17-6-2-3-7-19(17)16-27-12-10-18(11-13-27)15-25-23-14-21(24(28)29)20-8-4-5-9-22(20)26-23/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,26)(H,28,29)