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

Systemtic Name: (2-methylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: o-tolylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-methylbenzyl) ester Formula: C18H18O4 MolecularWeight: 298.33312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18O4/c1-13-5-2-3-6-15(13)12-22-18(19)14-7-8-16-17(11-14)21-10-4-9-20-16/h2-3,5-8,11H,4,9-10,12H2,1H3