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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(4-methylphenoxy)butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic 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-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO6/c1-16-5-8-18(9-6-16)26-11-2-4-22(25)29-15-21(24)23-17-7-10-19-20(14-17)28-13-3-12-27-19/h5-10,14H,2-4,11-13,15H2,1H3,(H,23,24)