[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)NCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)NCC3=CC=CC=C3)OC1

InChI

InChI=1S/C22H23NO6/c24-18(17-7-9-19-20(13-17)28-12-4-11-27-19)8-10-22(26)29-15-21(25)23-14-16-5-2-1-3-6-16/h1-3,5-7,9,13H,4,8,10-12,14-15H2,(H,23,25)