methyl 4-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]amino]methyl]benzoic acid methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-27-22(26)16-5-3-15(4-6-16)14-23-21(25)10-8-18(24)17-7-9-19-20(13-17)29-12-2-11-28-19/h3-7,9,13H,2,8,10-12,14H2,1H3,(H,23,25)