4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylamino]-2,6-dimethyl-1H-pyridine-2-carboxylic acid

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylamino]-2,6-dimethyl-1H-pyridine-2-carboxylic acid Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethyl-1H-pyridine-2-carboxylic acid CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazinyl]ethylamino]-2,6-dimethyl-1H-pyridine-2-carboxylic acid IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethyl-1H-pyridine-2-carboxylic acid Traditional Name: 4-[2-(4-benzhydrylpiperazino)ethylamino]-2,6-dimethyl-1H-pyridine-2-carboxylic acid Formula: C27H34N4O2 MolecularWeight: 446.58446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(N1)(C)C(=O)O)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(N1)(C)C(=O)O)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-21-19-24(20-27(2,29-21)26(32)33)28-13-14-30-15-17-31(18-16-30)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,19-20,25,28-29H,13-18H2,1-2H3,(H,32,33)