4-[(3-chloranyl-4,5-dimethoxy-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-4,5-dimethoxy-phenyl)methylamino]benzoic acid Openeye Name: 4-[(3-chloro-4,5-dimethoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3-chloro-4,5-dimethoxy-benzyl)amino]benzoic acid Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO4/c1-21-14-8-10(7-13(17)15(14)22-2)9-18-12-5-3-11(4-6-12)16(19)20/h3-8,18H,9H2,1-2H3,(H,19,20)