tert-butyl 4-[(1S)-2-azanyl-1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1S)-2-azanyl-1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(CN)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@H](CN)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O4/c1-18(2,3)25-17(22)21-8-6-20(7-9-21)14(11-19)13-4-5-15-16(10-13)24-12-23-15/h4-5,10,14H,6-9,11-12,19H2,1-3H3/t14-/m1/s1