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

Systemtic Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(6-methoxy-2,3,7-trimethyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-en-1-one Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)C(=CC(=O)N3CCCCCC3)C)OC)C)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCCCCC3)/C)OC)C)C

InChI

InChI=1S/C22H29NO3/c1-14(12-20(24)23-10-8-6-7-9-11-23)18-13-19-15(2)17(4)26-22(19)16(3)21(18)25-5/h12-13H,6-11H2,1-5H3/b14-12+