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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(C)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(C)C(=O)OCC

InChI

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