3-[(5-bromanyl-2-methoxy-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylamino]benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylamino]benzoic acid CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)amino]benzoic acid Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO3/c1-20-14-6-5-12(16)7-11(14)9-17-13-4-2-3-10(8-13)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)