tert-butyl N-[[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)27-17-19-4-7-21(8-5-19)24(30)29-13-11-28(12-14-29)18-20-6-9-23-22(16-20)10-15-32-23/h4-9,16H,10-15,17-18H2,1-3H3,(H,27,31)