3-methyl-2-phenyl-5-[(phenylmethyl)-piperidin-4-yl-amino]quinoline-4-carboxylic acid

Systemtic Name: 3-methyl-2-phenyl-5-[(phenylmethyl)-piperidin-4-yl-amino]quinoline-4-carboxylic acid Openeye Name: 5-[benzyl(4-piperidyl)amino]-3-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-methyl-2-phenyl-5-[(phenylmethyl)-(4-piperidinyl)amino]-4-quinolinecarboxylic acid IUPAC Name: 5-[benzyl(piperidin-4-yl)amino]-3-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 5-[benzyl(4-piperidyl)amino]-3-methyl-2-phenyl-cinchoninic acid Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC=C(C2=C1C(=O)O)N(CC3=CC=CC=C3)C4CCNCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C=CC=C(C2=C1C(=O)O)N(CC3=CC=CC=C3)C4CCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-20-26(29(33)34)27-24(31-28(20)22-11-6-3-7-12-22)13-8-14-25(27)32(23-15-17-30-18-16-23)19-21-9-4-2-5-10-21/h2-14,23,30H,15-19H2,1H3,(H,33,34)