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

Systemtic Name: 3-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[3-(diethylcarbamoyl)-1-piperidyl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[3-[diethylamino(oxo)methyl]-1-piperidinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[3-(diethylcarbamoyl)piperidino]methyl]-2-phenyl-cinchoninic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H31N3O3/c1-3-30(4-2)26(31)20-13-10-16-29(17-20)18-22-24(27(32)33)21-14-8-9-15-23(21)28-25(22)19-11-6-5-7-12-19/h5-9,11-12,14-15,20H,3-4,10,13,16-18H2,1-2H3,(H,32,33)