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

Systemtic Name: ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxypropanoate Openeye Name: ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl]oxypropanoate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-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)-4-oxo-6-propylchromen-7-yl]oxypropanoate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl]oxypropionic acid ethyl ester Formula: C26H28O7 MolecularWeight: 452.49632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(C)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(C)C(=O)OCC

InChI

InChI=1S/C26H28O7/c1-4-7-18-12-19-23(14-22(18)33-16(3)26(28)29-5-2)32-15-20(25(19)27)17-8-9-21-24(13-17)31-11-6-10-30-21/h8-9,12-16H,4-7,10-11H2,1-3H3