[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H23NO5/c1-14-4-5-16(10-15(14)2)11-21(24)27-13-20(23)22-17-6-7-18-19(12-17)26-9-3-8-25-18/h4-7,10,12H,3,8-9,11,13H2,1-2H3,(H,22,23)