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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic 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] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H23NO7/c1-2-27-17-7-4-15(5-8-17)22(26)23-13-21(25)30-14-18(24)16-6-9-19-20(12-16)29-11-3-10-28-19/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,23,26)