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

Systemtic Name: propan-2-yl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: isopropyl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]amino]benzoic acid isopropyl ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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