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

Systemtic Name: tert-butyl 2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H30N6O3/c1-27(2,3)36-26(35)21-9-5-4-8-20(21)25(34)31-15-12-19(13-16-31)24-28-14-17-32(24)18-33-23-11-7-6-10-22(23)29-30-33/h4-11,14,17,19H,12-13,15-16,18H2,1-3H3