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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C24H25NO6 MolecularWeight: 423.4584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H25NO6/c26-20(18-6-5-16-3-1-4-17(16)13-18)8-10-24(28)31-15-23(27)25-19-7-9-21-22(14-19)30-12-2-11-29-21/h5-7,9,13-14H,1-4,8,10-12,15H2,(H,25,27)