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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-[(3-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-[(3-methoxybenzoyl)amino]acetate CAS Name: 2-[[(3-methoxyphenyl)-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-[(3-methoxybenzoyl)amino]acetate Traditional Name: 2-(m-anisoylamino)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H21NO7/c1-26-16-5-2-4-15(10-16)21(25)22-12-20(24)29-13-17(23)14-6-7-18-19(11-14)28-9-3-8-27-18/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,22,25)