3-[[methyl-[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[methyl-[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[(1-benzyl-4-piperidyl)-methyl-amino]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[methyl-[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[(1-benzyl-4-piperidyl)-methyl-amino]methyl]-2-phenyl-cinchoninic acid Formula: C30H31N3O2 MolecularWeight: 465.58604

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O)C4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN(CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O)C4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2/c1-32(24-16-18-33(19-17-24)20-22-10-4-2-5-11-22)21-26-28(30(34)35)25-14-8-9-15-27(25)31-29(26)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3,(H,34,35)