2-oxidanyl-5-[1-oxidanyl-2-[(4-oxidanylidene-4-phenylazanyl-butan-2-yl)amino]ethyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[1-oxidanyl-2-[(4-oxidanylidene-4-phenylazanyl-butan-2-yl)amino]ethyl]benzoic acid Openeye Name: 5-[2-[(3-anilino-1-methyl-3-oxo-propyl)amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[(4-anilino-4-oxobutan-2-yl)amino]-1-hydroxyethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[(4-anilino-4-oxobutan-2-yl)amino]-1-hydroxyethyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-[(3-anilino-3-keto-1-methyl-propyl)amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CC(CC(=O)NC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C19H22N2O5/c1-12(9-18(24)21-14-5-3-2-4-6-14)20-11-17(23)13-7-8-16(22)15(10-13)19(25)26/h2-8,10,12,17,20,22-23H,9,11H2,1H3,(H,21,24)(H,25,26)