tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)pyridin-3-yl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)pyridin-3-yl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[2-[2-(isopentylcarbamoyl)-3-pyridyl]phenyl]methyl]carbamate CAS Name: N-[[2-[2-[(3-methylbutylamino)-oxomethyl]-3-pyridinyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)pyridin-3-yl]phenyl]methyl]carbamate Traditional Name: N-[2-[2-(isoamylcarbamoyl)-3-pyridyl]benzyl]carbamic acid tert-butyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C=CC=N1)C2=CC=CC=C2CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C=CC=N1)C2=CC=CC=C2CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O3/c1-16(2)12-14-25-21(27)20-19(11-8-13-24-20)18-10-7-6-9-17(18)15-26-22(28)29-23(3,4)5/h6-11,13,16H,12,14-15H2,1-5H3,(H,25,27)(H,26,28)