3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(3,4-dimethoxyphenyl)-6,8-dimethyl-chromen-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(3,4-dimethoxyphenyl)-6,8-dimethyl-chromen-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(3,4-dimethoxyphenyl)-6,8-dimethyl-chromen-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-2-(3,4-dimethoxyphenyl)-6,8-dimethyl-1-benzopyran-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-(3,4-dimethoxyphenyl)-6,8-dimethylchromen-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(3,4-dimethoxyphenyl)-6,8-dimethyl-chromone Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC(=O)N4CCCCCC4)C

InChI

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