ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl]oxypropanoate

Systemtic Name: ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl]oxypropanoate Openeye Name: ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl]oxypropanoate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propylchromen-7-yl]oxypropanoate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl]oxypropionic acid ethyl ester Formula: C27H30O7 MolecularWeight: 466.5229

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(C)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(C)C(=O)OCC

InChI

InChI=1S/C27H30O7/c1-5-8-18-13-20-23(15-22(18)34-17(4)27(29)30-6-2)33-16(3)25(26(20)28)19-9-10-21-24(14-19)32-12-7-11-31-21/h9-10,13-15,17H,5-8,11-12H2,1-4H3