4-(4-ethanoylpiperazin-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-oxo-butanamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-oxobutanamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxobutanamide Traditional Name: 4-(4-acetylpiperazino)-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-keto-butyramide Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H31N3O5/c1-4-29-19-12-17-11-15(2)30-20(17)13-18(19)14-23-21(27)5-6-22(28)25-9-7-24(8-10-25)16(3)26/h12-13,15H,4-11,14H2,1-3H3,(H,23,27)/t15-/m0/s1