4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C21H22NO5- MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)C3=C(NC(=C3C)C(=O)[O-])C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)C3=C(NC(=C3C)C(=O)[O-])C)O[C@H](C2)C

InChI

InChI=1S/C21H23NO5/c1-5-26-17-10-15-8-11(2)27-18(15)9-14(17)6-7-16(23)19-12(3)20(21(24)25)22-13(19)4/h6-7,9-11,22H,5,8H2,1-4H3,(H,24,25)/p-1/b7-6+/t11-/m0/s1