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

Systemtic Name: tert-butyl 4-[2-[2-tert-butyl-5-[(2-chloranylpyridin-3-yl)carbonylamino]phenyl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-tert-butyl-5-[(2-chloropyridine-3-carbonyl)amino]phenyl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[2-tert-butyl-5-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]phenyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-tert-butyl-5-[(2-chloropyridine-3-carbonyl)amino]phenyl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[2-tert-butyl-5-[(2-chloronicotinoyl)amino]phenyl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H38ClN3O3 MolecularWeight: 500.07262

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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)CCC3CCN(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)CCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H38ClN3O3/c1-27(2,3)23-12-11-21(31-25(33)22-8-7-15-30-24(22)29)18-20(23)10-9-19-13-16-32(17-14-19)26(34)35-28(4,5)6/h7-8,11-12,15,18-19H,9-10,13-14,16-17H2,1-6H3,(H,31,33)