3-azanyl-4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-azanyl-4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-amino-4-[2-oxo-2-(sec-butylamino)ethoxy]benzoic acid CAS Name: 3-amino-4-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3-amino-4-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3-amino-4-[2-keto-2-(sec-butylamino)ethoxy]benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CCC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C13H18N2O4/c1-3-8(2)15-12(16)7-19-11-5-4-9(13(17)18)6-10(11)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)(H,17,18)