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

Systemtic Name: tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(5-chloropyridin-2-yl)carbamoyl]phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O4/c1-23(2,3)31-22(29)27-12-10-16(11-13-27)15-30-19-7-5-4-6-18(19)21(28)26-20-9-8-17(24)14-25-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26,28)