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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl] benzoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propylchromen-7-yl] benzoate Traditional Name: benzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-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(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26O6/c1-3-8-20-15-22-25(17-24(20)35-29(31)19-9-5-4-6-10-19)34-18(2)27(28(22)30)21-11-12-23-26(16-21)33-14-7-13-32-23/h4-6,9-12,15-17H,3,7-8,13-14H2,1-2H3