4-azanyl-3-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 4-azanyl-3-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 4-amino-3-[1-methyl-2-oxo-2-(sec-butylamino)ethoxy]benzoic acid CAS Name: 4-amino-3-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 4-amino-3-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 4-amino-3-[2-keto-1-methyl-2-(sec-butylamino)ethoxy]benzoic acid Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)OC1=C(C=CC(=C1)C(=O)O)N

Isomeric SMILES

CCC(C)NC(=O)C(C)OC1=C(C=CC(=C1)C(=O)O)N

InChI

InChI=1S/C14H20N2O4/c1-4-8(2)16-13(17)9(3)20-12-7-10(14(18)19)5-6-11(12)15/h5-9H,4,15H2,1-3H3,(H,16,17)(H,18,19)