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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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-methylpentanoate Traditional Name: 4-methylvaleric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H23NO5/c1-12(2)4-7-17(20)23-11-16(19)18-13-5-6-14-15(10-13)22-9-3-8-21-14/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,19)