tert-butyl N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-N-pyridin-4-ylcarbonyl-carbamate

Systemtic Name: tert-butyl N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-N-pyridin-4-ylcarbonyl-carbamate Openeye Name: tert-butyl N-[4-(2,3-dihydrobenzofuran-2-ylmethylamino)butyl]-N-(pyridine-4-carbonyl)carbamate CAS Name: N-[4-(2,3-dihydrobenzofuran-2-ylmethylamino)butyl]-N-[oxo(pyridin-4-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butyl]-N-(pyridine-4-carbonyl)carbamate Traditional Name: N-[4-(coumaran-2-ylmethylamino)butyl]-N-isonicotinoyl-carbamic acid tert-butyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCNCC1CC2=CC=CC=C2O1)C(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCNCC1CC2=CC=CC=C2O1)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C24H31N3O4/c1-24(2,3)31-23(29)27(22(28)18-10-13-25-14-11-18)15-7-6-12-26-17-20-16-19-8-4-5-9-21(19)30-20/h4-5,8-11,13-14,20,26H,6-7,12,15-17H2,1-3H3