(E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(2S)-5-methoxy-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-methoxy-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-methoxy-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-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propen-1-one IUPAC Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(cyclopropanecarbonyl)piperazino]-3-[(2S)-5-methoxy-2-methyl-coumaran-6-yl]prop-2-en-1-one Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C(=C2)OC)C=CC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C[C@H]1CC2=C(O1)C=C(C(=C2)OC)/C=C/C(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H26N2O4/c1-14-11-17-13-18(26-2)16(12-19(17)27-14)5-6-20(24)22-7-9-23(10-8-22)21(25)15-3-4-15/h5-6,12-15H,3-4,7-11H2,1-2H3/b6-5+/t14-/m0/s1