2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 2-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]benzoic acid CAS Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid IUPAC Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid Traditional Name: 2-[(2-hydroxy-3,5-dimethyl-benzyl)amino]benzoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CNC2=CC=CC=C2C(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CNC2=CC=CC=C2C(=O)O)O)C

InChI

InChI=1S/C16H17NO3/c1-10-7-11(2)15(18)12(8-10)9-17-14-6-4-3-5-13(14)16(19)20/h3-8,17-18H,9H2,1-2H3,(H,19,20)