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

Systemtic Name: ethyl (1S,2S)-2-[[1,3-benzodioxol-5-ylmethyl(cyclohexylcarbonyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[1,3-benzodioxol-5-ylmethyl(cyclohexanecarbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[1,3-benzodioxol-5-ylmethyl-[cyclohexyl(oxo)methyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[1,3-benzodioxol-5-ylmethyl(cyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[cyclohexanecarbonyl(piperonyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4

InChI

InChI=1S/C22H29NO5/c1-2-26-22(25)18-11-17(18)13-23(21(24)16-6-4-3-5-7-16)12-15-8-9-19-20(10-15)28-14-27-19/h8-10,16-18H,2-7,11-14H2,1H3/t17-,18+/m1/s1