3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-2-methyl-benzoic acid CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-methylbenzoic acid IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-2-methyl-benzoic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C17H19NO3/c1-10-7-13(8-11(2)16(10)19)9-18-15-6-4-5-14(12(15)3)17(20)21/h4-8,18-19H,9H2,1-3H3,(H,20,21)