4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 4-[(4-hydroxy-3-methoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid Traditional Name: 4-(vanillylamino)benzoic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C15H15NO4/c1-20-14-8-10(2-7-13(14)17)9-16-12-5-3-11(4-6-12)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19)