tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-4-yl-piperidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-4-yl-piperidine-2-carboxylate Openeye Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(4-pyridyl)piperidine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-4-pyridin-4-yl-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-pyridin-4-ylpiperidine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-4-(4-pyridyl)pipecolinic acid tert-butyl ester Formula: C21H34N4O3 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(CCN1C(=O)C(CCCCN)N)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(CCN1C(=O)C(CCCCN)N)C2=CC=NC=C2

InChI

InChI=1S/C21H34N4O3/c1-21(2,3)28-20(27)18-14-16(15-7-11-24-12-8-15)9-13-25(18)19(26)17(23)6-4-5-10-22/h7-8,11-12,16-18H,4-6,9-10,13-14,22-23H2,1-3H3