(E)-1-(azepan-1-yl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-en-1-one Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)N3CCCCCC3)C)OC)C

Isomeric SMILES

CC1=COC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCCCCC3)/C)OC)C

InChI

InChI=1S/C21H27NO3/c1-14(11-19(23)22-9-7-5-6-8-10-22)17-12-18-15(2)13-25-21(18)16(3)20(17)24-4/h11-13H,5-10H2,1-4H3/b14-11+