2,4-dimethyl-4-[3-[4-(4-phenylpiperidin-1-yl)butanoylamino]phenyl]-2,3-dihydro-1H-pyridine-3,6-dicarboxylic acid

Systemtic Name: 2,4-dimethyl-4-[3-[4-(4-phenylpiperidin-1-yl)butanoylamino]phenyl]-2,3-dihydro-1H-pyridine-3,6-dicarboxylic acid Openeye Name: 2,4-dimethyl-4-[3-[4-(4-phenyl-1-piperidyl)butanoylamino]phenyl]-2,3-dihydro-1H-pyridine-3,6-dicarboxylic acid CAS Name: 2,4-dimethyl-4-[3-[[1-oxo-4-(4-phenyl-1-piperidinyl)butyl]amino]phenyl]-2,3-dihydro-1H-pyridine-3,6-dicarboxylic acid IUPAC Name: 2,4-dimethyl-4-[3-[4-(4-phenylpiperidin-1-yl)butanoylamino]phenyl]-2,3-dihydro-1H-pyridine-3,6-dicarboxylic acid Traditional Name: 2,4-dimethyl-4-[3-[4-(4-phenylpiperidino)butanoylamino]phenyl]-2,3-dihydro-1H-pyridine-3,6-dicarboxylic acid Formula: C30H37N3O5 MolecularWeight: 519.63188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C=C(N1)C(=O)O)(C)C2=CC(=CC=C2)NC(=O)CCCN3CCC(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1C(C(C=C(N1)C(=O)O)(C)C2=CC(=CC=C2)NC(=O)CCCN3CCC(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H37N3O5/c1-20-27(29(37)38)30(2,19-25(31-20)28(35)36)23-10-6-11-24(18-23)32-26(34)12-7-15-33-16-13-22(14-17-33)21-8-4-3-5-9-21/h3-6,8-11,18-20,22,27,31H,7,12-17H2,1-2H3,(H,32,34)(H,35,36)(H,37,38)