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

Systemtic Name: 2-chloranyl-5-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 2-chloro-5-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]benzoic acid CAS Name: 2-chloro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid Traditional Name: 2-chloro-5-[(4-hydroxy-3,5-dimethyl-benzyl)amino]benzoic acid Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H16ClNO3/c1-9-5-11(6-10(2)15(9)19)8-18-12-3-4-14(17)13(7-12)16(20)21/h3-7,18-19H,8H2,1-2H3,(H,20,21)