tert-butyl 4-[[2-tert-butyl-5-[(2-chloranylpyridin-3-yl)carbonylamino]phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-tert-butyl-5-[(2-chloranylpyridin-3-yl)carbonylamino]phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-tert-butyl-5-[(2-chloropyridine-3-carbonyl)amino]phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-tert-butyl-5-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-tert-butyl-5-[(2-chloropyridine-3-carbonyl)amino]phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-tert-butyl-5-[(2-chloronicotinoyl)amino]phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H36ClN3O4 MolecularWeight: 502.04544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl)OCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl)OCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H36ClN3O4/c1-26(2,3)21-10-9-19(30-24(32)20-8-7-13-29-23(20)28)16-22(21)34-17-18-11-14-31(15-12-18)25(33)35-27(4,5)6/h7-10,13,16,18H,11-12,14-15,17H2,1-6H3,(H,30,32)