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

Systemtic Name: (phenylmethyl) 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate Openeye Name: benzyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid benzyl ester Formula: C30H28O7 MolecularWeight: 500.53912

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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)OCC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H28O7/c1-2-7-22-14-23-27(16-26(22)36-19-29(31)37-17-20-8-4-3-5-9-20)35-18-24(30(23)32)21-10-11-25-28(15-21)34-13-6-12-33-25/h3-5,8-11,14-16,18H,2,6-7,12-13,17,19H2,1H3