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

Systemtic Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-quinolin-3-ylcarbonyl-carbamate Openeye Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(quinoline-3-carbonyl)carbamate CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-[oxo(3-quinolinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(quinoline-3-carbonyl)carbamate Traditional Name: N-[3-(piperonylamino)propyl]-N-(quinoline-3-carbonyl)carbamic acid tert-butyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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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=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNCC1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C26H29N3O5/c1-26(2,3)34-25(31)29(24(30)20-14-19-7-4-5-8-21(19)28-16-20)12-6-11-27-15-18-9-10-22-23(13-18)33-17-32-22/h4-5,7-10,13-14,16,27H,6,11-12,15,17H2,1-3H3