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

Systemtic Name: tert-butyl N-[3-(4-isocyano-4-phenyl-piperidin-1-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-(4-isocyano-4-phenyl-1-piperidyl)propyl]carbamate CAS Name: N-[3-(4-isocyano-4-phenyl-1-piperidinyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]carbamate Traditional Name: N-[3-(4-isocyano-4-phenyl-piperidino)propyl]carbamic acid tert-butyl ester Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN1CCC(CC1)(C2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN1CCC(CC1)(C2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C20H29N3O2/c1-19(2,3)25-18(24)22-13-8-14-23-15-11-20(21-4,12-16-23)17-9-6-5-7-10-17/h5-7,9-10H,8,11-16H2,1-3H3,(H,22,24)