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

Systemtic Name: tert-butyl N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-[4-(pyridin-4-ylcarbonylamino)butyl]carbamate Openeye Name: tert-butyl N-(2,3-dihydrobenzofuran-2-ylmethyl)-N-[4-(pyridine-4-carbonylamino)butyl]carbamate CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-N-[4-[[oxo(pyridin-4-yl)methyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-[4-(pyridine-4-carbonylamino)butyl]carbamate Traditional Name: N-(coumaran-2-ylmethyl)-N-(4-isonicotinamidobutyl)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(CCCCNC(=O)C1=CC=NC=C1)CC2CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCNC(=O)C1=CC=NC=C1)CC2CC3=CC=CC=C3O2

InChI

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