tert-butyl N-[(2S)-4-[(4-chlorophenyl)methylamino]-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-[(4-chlorophenyl)methylamino]-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-[(4-chlorophenyl)methylamino]-1-(piperidine-1-carbonyl)propyl]carbamate CAS Name: N-[(2S)-4-[(4-chlorophenyl)methylamino]-1-oxo-1-(1-piperidinyl)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-[(4-chlorophenyl)methylamino]-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate Traditional Name: N-[(1S)-3-[(4-chlorobenzyl)amino]-1-(piperidine-1-carbonyl)propyl]carbamic acid tert-butyl ester Formula: C21H32ClN3O3 MolecularWeight: 409.95008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCNCC1=CC=C(C=C1)Cl)C(=O)N2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCNCC1=CC=C(C=C1)Cl)C(=O)N2CCCCC2

InChI

InChI=1S/C21H32ClN3O3/c1-21(2,3)28-20(27)24-18(19(26)25-13-5-4-6-14-25)11-12-23-15-16-7-9-17(22)10-8-16/h7-10,18,23H,4-6,11-15H2,1-3H3,(H,24,27)/t18-/m0/s1