1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-(4-ethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-4-p-phenetyl-butane-1,4-dione Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C25H30N2O4/c1-2-30-22-6-4-20(5-7-22)23(28)8-10-25(29)27-14-12-26(13-15-27)18-19-3-9-24-21(17-19)11-16-31-24/h3-7,9,17H,2,8,10-16,18H2,1H3