(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-propenamide IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acrylamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4)O[C@H](C2)C

InChI

InChI=1S/C25H27N3O3/c1-4-30-23-14-21-12-18(2)31-24(21)13-20(23)10-11-25(29)27(3)16-19-15-26-28(17-19)22-8-6-5-7-9-22/h5-11,13-15,17-18H,4,12,16H2,1-3H3/b11-10+/t18-/m0/s1