3-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]benzoic acid Openeye Name: 3-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]benzoic acid CAS Name: 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzoic acid IUPAC Name: 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzoic acid Traditional Name: 3-[1-(2-hydroxy-4-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)C(C)NC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

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

InChI

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