tert-butyl 2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: tert-butyl 2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4

InChI

InChI=1S/C26H30N4O3/c1-26(2,3)33-25(32)22-10-5-4-9-21(22)24(31)29-15-11-19(12-16-29)23-28-14-17-30(23)18-20-8-6-7-13-27-20/h4-10,13-14,17,19H,11-12,15-16,18H2,1-3H3