tert-butyl N-[4-[3-cyanopropyl-(phenylmethyl)amino]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[3-cyanopropyl-(phenylmethyl)amino]butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[benzyl(3-cyanopropyl)amino]-1-methyl-propyl]carbamate CAS Name: N-[4-[3-cyanopropyl-(phenylmethyl)amino]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[benzyl(3-cyanopropyl)amino]butan-2-yl]carbamate Traditional Name: N-[3-[benzyl(3-cyanopropyl)amino]-1-methyl-propyl]carbamic acid tert-butyl ester Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(CCCC#N)CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(CCN(CCCC#N)CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O2/c1-17(22-19(24)25-20(2,3)4)12-15-23(14-9-8-13-21)16-18-10-6-5-7-11-18/h5-7,10-11,17H,8-9,12,14-16H2,1-4H3,(H,22,24)