4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylamino]-2,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylamino]-2,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazinyl]ethylamino]-2,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid Traditional Name: 4-[2-(4-benzhydrylpiperazino)ethylamino]-2,6-dimethyl-nicotinic acid Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C27H32N4O2/c1-20-19-24(25(27(32)33)21(2)29-20)28-13-14-30-15-17-31(18-16-30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,19,26H,13-18H2,1-2H3,(H,28,29)(H,32,33)