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

Systemtic Name: methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl]oxyethanoate Openeye Name: methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-isopropyl-4-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-2-propan-2-ylchromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-isopropyl-4-keto-chromen-7-yl]oxyacetic acid methyl ester Formula: C26H28O7 MolecularWeight: 452.49632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O7/c1-5-16-11-18-21(13-20(16)32-14-23(27)29-4)33-26(15(2)3)24(25(18)28)17-7-8-19-22(12-17)31-10-6-9-30-19/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3