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

Systemtic Name: methyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-chromen-7-yl]oxymethyl]benzoate CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl]oxymethyl]benzoate Traditional Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-keto-chromen-7-yl]oxymethyl]benzoic acid methyl ester Formula: C29H26O7 MolecularWeight: 486.51254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C29H26O7/c1-3-19-13-22-26(15-25(19)35-16-18-5-7-20(8-6-18)29(31)32-2)36-17-23(28(22)30)21-9-10-24-27(14-21)34-12-4-11-33-24/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3