ethyl (1S,2S)-2-[[1,3-benzodioxol-5-ylmethyl(ethanoyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[1,3-benzodioxol-5-ylmethyl(ethanoyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[acetyl(1,3-benzodioxol-5-ylmethyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[acetyl(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[acetyl(1,3-benzodioxol-5-ylmethyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[acetyl(piperonyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C17H21NO5/c1-3-21-17(20)14-7-13(14)9-18(11(2)19)8-12-4-5-15-16(6-12)23-10-22-15/h4-6,13-14H,3,7-10H2,1-2H3/t13-,14+/m1/s1