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

Systemtic Name: tert-butyl N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)32-24(30)26-21-6-4-5-20(16-21)23(29)28-12-10-27(11-13-28)17-18-7-8-22-19(15-18)9-14-31-22/h4-8,15-16H,9-14,17H2,1-3H3,(H,26,30)