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

Systemtic Name: 3-[[ethanoyl(methyl)amino]-phenyl-piperidin-1-yl-methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[acetyl(methyl)amino]-phenyl-(1-piperidyl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[acetyl(methyl)amino]-phenyl-(1-piperidinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[acetyl(methyl)amino]-phenyl-piperidin-1-ylmethyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[acetyl(methyl)amino]-phenyl-piperidino-methyl]-2-phenyl-cinchoninic acid Formula: C31H31N3O3 MolecularWeight: 493.59614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C(C1=CC=CC=C1)(C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)N5CCCCC5

Isomeric SMILES

CC(=O)N(C)C(C1=CC=CC=C1)(C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)N5CCCCC5

InChI

InChI=1S/C31H31N3O3/c1-22(35)33(2)31(24-16-8-4-9-17-24,34-20-12-5-13-21-34)28-27(30(36)37)25-18-10-11-19-26(25)32-29(28)23-14-6-3-7-15-23/h3-4,6-11,14-19H,5,12-13,20-21H2,1-2H3,(H,36,37)