tert-butyl 4-[(1S)-2-azanyl-1-(4-tert-butylphenyl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1S)-2-azanyl-1-(4-tert-butylphenyl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-2-amino-1-(4-tert-butylphenyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[(1S)-2-amino-1-(4-tert-butylphenyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1S)-2-amino-1-(4-tert-butylphenyl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[(1S)-2-amino-1-(4-tert-butylphenyl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H35N3O2 MolecularWeight: 361.5215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CN)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CN)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H35N3O2/c1-20(2,3)17-9-7-16(8-10-17)18(15-22)23-11-13-24(14-12-23)19(25)26-21(4,5)6/h7-10,18H,11-15,22H2,1-6H3/t18-/m1/s1