2,6-dimethyl-3-[4-[3-[4-(phenylmethyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-3-[4-[3-[4-(phenylmethyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid Openeye Name: 3-[4-[3-(4-benzyl-1-piperidyl)propylcarbamoylamino]phenyl]-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-3-[4-[[oxo-[3-[4-(phenylmethyl)-1-piperidinyl]propylamino]methyl]amino]phenyl]-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid IUPAC Name: 3-[4-[3-(4-benzylpiperidin-1-yl)propylcarbamoylamino]phenyl]-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid Traditional Name: 3-[4-[3-(4-benzylpiperidino)propylcarbamoylamino]phenyl]-2,6-dimethyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid Formula: C31H40N4O5 MolecularWeight: 548.6731

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(=C(N1)C)C(=O)O)(C2=CC=C(C=C2)NC(=O)NCCCN3CCC(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1C(CC(=C(N1)C)C(=O)O)(C2=CC=C(C=C2)NC(=O)NCCCN3CCC(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H40N4O5/c1-21-27(28(36)37)20-31(29(38)39,22(2)33-21)25-9-11-26(12-10-25)34-30(40)32-15-6-16-35-17-13-24(14-18-35)19-23-7-4-3-5-8-23/h3-5,7-12,22,24,33H,6,13-20H2,1-2H3,(H,36,37)(H,38,39)(H2,32,34,40)