tert-butyl 2-[(1R,2S,3S)-2-azanyl-3-(1,3-benzodioxol-5-yl)cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[(1R,2S,3S)-2-azanyl-3-(1,3-benzodioxol-5-yl)cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1R,2S,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetate CAS Name: 2-[(1R,2S,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1R,2S,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetate Traditional Name: 2-[(1R,2S,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetic acid tert-butyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCCC(C1N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H]1CCC[C@H]([C@H]1N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27NO4/c1-19(2,3)24-17(21)10-13-5-4-6-14(18(13)20)12-7-8-15-16(9-12)23-11-22-15/h7-9,13-14,18H,4-6,10-11,20H2,1-3H3/t13-,14+,18+/m1/s1