5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-5-keto-3,3-dimethyl-valeric acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-16(2,10-15(19)20)9-14(18)17-11-4-5-12-13(8-11)22-7-3-6-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20)