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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C29H26O6 MolecularWeight: 470.51314

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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(=O)C5=CC=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C29H26O6/c1-3-5-21-14-22-26(16-25(21)35-29(31)19-8-6-18(2)7-9-19)34-17-23(28(22)30)20-10-11-24-27(15-20)33-13-4-12-32-24/h6-11,14-17H,3-5,12-13H2,1-2H3