(E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propen-1-one IUPAC Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(cyclopropanecarbonyl)piperazino]-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]prop-2-en-1-one Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)N3CCN(CC3)C(=O)C4CC4)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)N3CCN(CC3)C(=O)C4CC4)O[C@H](C2)C

InChI

InChI=1S/C22H28N2O4/c1-3-27-19-14-18-12-15(2)28-20(18)13-17(19)6-7-21(25)23-8-10-24(11-9-23)22(26)16-4-5-16/h6-7,13-16H,3-5,8-12H2,1-2H3/b7-6+/t15-/m0/s1