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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-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-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO6/c1-15-12-16(23)5-7-18(15)27-9-2-4-22(26)30-14-21(25)24-17-6-8-19-20(13-17)29-11-3-10-28-19/h5-8,12-13H,2-4,9-11,14H2,1H3,(H,24,25)