3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-chromen-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-chromen-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-chromen-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-1-benzopyran-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-chromone Formula: C27H31NO6 MolecularWeight: 465.53814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC(=C(C2=O)OCC(=O)N3CCCCCC3)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC(=C(C2=O)OCC(=O)N3CCCCCC3)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C27H31NO6/c1-17-13-18(2)24-22(14-17)34-26(19-9-10-20(31-3)21(15-19)32-4)27(25(24)30)33-16-23(29)28-11-7-5-6-8-12-28/h9-10,13-15H,5-8,11-12,16H2,1-4H3