3-[2-(heptan-2-ylamino)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-[2-(heptan-2-ylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-[2-(1-methylhexylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-[2-(heptan-2-ylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3-[2-(heptan-2-ylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3-[2-keto-2-(1-methylhexylamino)ethoxy]benzoic acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)COC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C16H23NO4/c1-3-4-5-7-12(2)17-15(18)11-21-14-9-6-8-13(10-14)16(19)20/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,18)(H,19,20)