7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-chromen-4-one

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-chromen-4-one Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-chromen-4-one CAS Name: 7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-1-benzopyran-4-one IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propylchromen-4-one Traditional Name: 7-(2-chloro-6-fluoro-benzyl)oxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-chromone Formula: C29H26ClFO5 MolecularWeight: 508.965143

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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)OCC5=C(C=CC=C5Cl)F

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C29H26ClFO5/c1-3-6-18-13-20-26(15-25(18)35-16-21-22(30)7-4-8-23(21)31)36-17(2)28(29(20)32)19-9-10-24-27(14-19)34-12-5-11-33-24/h4,7-10,13-15H,3,5-6,11-12,16H2,1-2H3