[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C19H18O5 MolecularWeight: 326.34322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5/c1-13-4-2-5-15(10-13)19(21)24-12-16(20)14-6-7-17-18(11-14)23-9-3-8-22-17/h2,4-7,10-11H,3,8-9,12H2,1H3