[3,4-bis(oxidanyl)hexan-3-ylamino] benzoate

Systemtic Name: [3,4-bis(oxidanyl)hexan-3-ylamino] benzoate Openeye Name: [(1-ethyl-1,2-dihydroxy-butyl)amino] benzoate CAS Name: benzoic acid (3,4-dihydroxyhexan-3-ylamino) ester IUPAC Name: (3,4-dihydroxyhexan-3-ylamino) benzoate Traditional Name: benzoic acid [(1-ethyl-1,2-dihydroxy-butyl)amino] ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)(NOC(=O)C1=CC=CC=C1)O)O

Isomeric SMILES

CCC(C(CC)(NOC(=O)C1=CC=CC=C1)O)O

InChI

InChI=1S/C13H19NO4/c1-3-11(15)13(17,4-2)14-18-12(16)10-8-6-5-7-9-10/h5-9,11,14-15,17H,3-4H2,1-2H3