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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H25NO6/c1-2-16-4-7-18(8-5-16)24-22(26)15-30-23(27)11-9-19(25)17-6-10-20-21(14-17)29-13-3-12-28-20/h4-8,10,14H,2-3,9,11-13,15H2,1H3,(H,24,26)