tert-butyl N-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-isocyano-4-(o-tolyl)-1-piperidyl]propyl]carbamate CAS Name: N-[3-[4-isocyano-4-(2-methylphenyl)-1-piperidinyl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]carbamate Traditional Name: N-[3-[4-isocyano-4-(o-tolyl)piperidino]propyl]carbamic acid tert-butyl ester Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCN(CC2)CCCNC(=O)OC(C)(C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=CC=C1C2(CCN(CC2)CCCNC(=O)OC(C)(C)C)[N+]#[C-]

InChI

InChI=1S/C21H31N3O2/c1-17-9-6-7-10-18(17)21(22-5)11-15-24(16-12-21)14-8-13-23-19(25)26-20(2,3)4/h6-7,9-10H,8,11-16H2,1-4H3,(H,23,25)