N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide Traditional Name: 2-(4-benzylpiperazino)-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]acetamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c1-3-30-23-14-21-13-19(2)31-24(21)15-22(23)16-26-25(29)18-28-11-9-27(10-12-28)17-20-7-5-4-6-8-20/h4-8,14-15,19H,3,9-13,16-18H2,1-2H3,(H,26,29)/t19-/m0/s1