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

Systemtic Name: ethyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-phenylcyclopropyl)carbonyl-amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-phenylcyclopropanecarbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[oxo-(1-phenylcyclopropyl)methyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-phenylcyclopropanecarbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: 2-[[(1-phenylcyclopropanecarbonyl)-piperonyl-amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27NO5/c1-2-29-23(27)20-13-18(20)15-26(14-17-8-9-21-22(12-17)31-16-30-21)24(28)25(10-11-25)19-6-4-3-5-7-19/h3-9,12,18,20H,2,10-11,13-16H2,1H3