[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic 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] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic 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=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-13-9-14(2)20(15(3)10-13)21(24)27-12-19(23)22-16-5-6-17-18(11-16)26-8-4-7-25-17/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,22,23)