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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(o-tolylmethylamino)-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-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-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-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H25NO6/c1-16-5-2-3-6-18(16)14-24-22(26)15-30-23(27)10-8-19(25)17-7-9-20-21(13-17)29-12-4-11-28-20/h2-3,5-7,9,13H,4,8,10-12,14-15H2,1H3,(H,24,26)