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

Systemtic Name: 2,6-dimethyl-4-[3-[3-[2-(phenylmethyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[3-[3-(2-benzyl-1-piperidyl)propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[3-[[oxo-[3-[2-(phenylmethyl)-1-piperidinyl]propylamino]methyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[3-[3-(2-benzylpiperidin-1-yl)propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[3-[3-(2-benzylpiperidino)propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C31H38N4O5 MolecularWeight: 546.65722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=O)NCCCN3CCCCC3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=O)NCCCN3CCCCC3CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H38N4O5/c1-20-26(29(36)37)28(27(30(38)39)21(2)33-20)23-12-8-13-24(19-23)34-31(40)32-15-9-17-35-16-7-6-14-25(35)18-22-10-4-3-5-11-22/h3-5,8,10-13,19,25,28,33H,6-7,9,14-18H2,1-2H3,(H,36,37)(H,38,39)(H2,32,34,40)