(E)-1-(azepan-1-yl)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-en-1-one Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)N4CCCCCC4)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)N4CCCCCC4)/C

InChI

InChI=1S/C26H29NO3/c1-3-29-24-17-25-22(23(18-30-25)20-11-7-6-8-12-20)16-21(24)19(2)15-26(28)27-13-9-4-5-10-14-27/h6-8,11-12,15-18H,3-5,9-10,13-14H2,1-2H3/b19-15+