(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3,3-diphenylpropanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3,3-diphenylpropanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C25H23ClO4 MolecularWeight: 422.90072

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C25H23ClO4/c26-22-14-18(15-23-25(22)29-13-7-12-28-23)17-30-24(27)16-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14-15,21H,7,12-13,16-17H2