4-[1-(5-methyl-2-oxidanyl-phenyl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(5-methyl-2-oxidanyl-phenyl)ethylamino]benzoic acid Openeye Name: 4-[1-(2-hydroxy-5-methyl-phenyl)ethylamino]benzoic acid CAS Name: 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]benzoic acid Traditional Name: 4-[1-(2-hydroxy-5-methyl-phenyl)ethylamino]benzoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO3/c1-10-3-8-15(18)14(9-10)11(2)17-13-6-4-12(5-7-13)16(19)20/h3-9,11,17-18H,1-2H3,(H,19,20)