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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(phenethylamino)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-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 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-keto-2-(phenethylamino)ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)NCCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)NCCC3=CC=CC=C3)OC1

InChI

InChI=1S/C23H25NO6/c25-19(18-7-9-20-21(15-18)29-14-4-13-28-20)8-10-23(27)30-16-22(26)24-12-11-17-5-2-1-3-6-17/h1-3,5-7,9,15H,4,8,10-14,16H2,(H,24,26)