tert-butyl 4-[5-[4-(2-bromanylethanoylamino)phenyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[4-(2-bromanylethanoylamino)phenyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[4-[(2-bromoacetyl)amino]phenyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-[4-[(2-bromo-1-oxoethyl)amino]phenyl]-2-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[4-[(2-bromoacetyl)amino]phenyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-[4-[(2-bromoacetyl)amino]phenyl]pyrimidin-2-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H27BrN4O4 MolecularWeight: 491.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=N2)C3=CC=C(C=C3)NC(=O)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=N2)C3=CC=C(C=C3)NC(=O)CBr

InChI

InChI=1S/C22H27BrN4O4/c1-22(2,3)31-21(29)27-10-8-18(9-11-27)30-20-24-13-16(14-25-20)15-4-6-17(7-5-15)26-19(28)12-23/h4-7,13-14,18H,8-12H2,1-3H3,(H,26,28)