tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(1-phenylcyclopropyl)carbonyl-carbamate

Systemtic Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(1-phenylcyclopropyl)carbonyl-carbamate Openeye Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(1-phenylcyclopropanecarbonyl)carbamate CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-[oxo-(1-phenylcyclopropyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(1-phenylcyclopropanecarbonyl)carbamate Traditional Name: N-(1-phenylcyclopropanecarbonyl)-N-[3-(piperonylamino)propyl]carbamic acid tert-butyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNCC1=CC2=C(C=C1)OCO2)C(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNCC1=CC2=C(C=C1)OCO2)C(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O5/c1-25(2,3)33-24(30)28(23(29)26(12-13-26)20-8-5-4-6-9-20)15-7-14-27-17-19-10-11-21-22(16-19)32-18-31-21/h4-6,8-11,16,27H,7,12-15,17-18H2,1-3H3