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

Systemtic Name: methyl 2-[(1S,2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,2S)-2-amino-2-(1,3-benzodioxol-5-yl)cyclohexyl]acetate CAS Name: 2-[(1S,2S)-2-amino-2-(1,3-benzodioxol-5-yl)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2S)-2-amino-2-(1,3-benzodioxol-5-yl)cyclohexyl]acetate Traditional Name: 2-[(1S,2S)-2-amino-2-(1,3-benzodioxol-5-yl)cyclohexyl]acetic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCCC1(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

COC(=O)C[C@@H]1CCCC[C@]1(C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H21NO4/c1-19-15(18)9-11-4-2-3-7-16(11,17)12-5-6-13-14(8-12)21-10-20-13/h5-6,8,11H,2-4,7,9-10,17H2,1H3/t11-,16-/m0/s1