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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-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-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-14-4-2-5-16(10-14)21(25)22-12-20(24)28-13-17(23)15-6-7-18-19(11-15)27-9-3-8-26-18/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,22,25)