(3,5-dimethylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H20O4/c1-13-8-14(2)10-15(9-13)12-23-19(20)16-4-5-17-18(11-16)22-7-3-6-21-17/h4-5,8-11H,3,6-7,12H2,1-2H3