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

Systemtic Name: methyl 2-[(1S,2R,3S)-2-azanyl-3-(1,3-benzodioxol-5-yl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,2R,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetate CAS Name: 2-[(1S,2R,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2R,3S)-2-amino-3-(1,3-benzodioxol-5-yl)cyclohexyl]acetate Traditional Name: 2-[(1S,2R,3S)-2-amino-3-(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)CC1CCCC(C1N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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