4-[1-[1-(2,6-diphenylpyridin-4-yl)carbonylpiperidin-4-yl]piperidin-3-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[1-[1-(2,6-diphenylpyridin-4-yl)carbonylpiperidin-4-yl]piperidin-3-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[1-[1-(2,6-diphenylpyridine-4-carbonyl)-4-piperidyl]piperidine-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[1-[1-[(2,6-diphenyl-4-pyridinyl)-oxomethyl]-4-piperidinyl]-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[1-[1-(2,6-diphenylisonicotinoyl)-4-piperidyl]nipecotoyl]piperazine-1-carboxylic acid Formula: C34H39N5O4 MolecularWeight: 581.70456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N6CCN(CC6)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N6CCN(CC6)C(=O)O

InChI

InChI=1S/C34H39N5O4/c40-32(37-18-20-38(21-19-37)34(42)43)27-12-7-15-39(24-27)29-13-16-36(17-14-29)33(41)28-22-30(25-8-3-1-4-9-25)35-31(23-28)26-10-5-2-6-11-26/h1-6,8-11,22-23,27,29H,7,12-21,24H2,(H,42,43)