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

Systemtic Name: 3-[(5-bromanyl-2-prop-2-enoxy-phenyl)methylamino]benzoic acid Openeye Name: 3-[(2-allyloxy-5-bromo-phenyl)methylamino]benzoic acid CAS Name: 3-[(5-bromo-2-prop-2-enoxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(5-bromo-2-prop-2-enoxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(2-allyloxy-5-bromo-benzyl)amino]benzoic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Br)CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Br)CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H16BrNO3/c1-2-8-22-16-7-6-14(18)9-13(16)11-19-15-5-3-4-12(10-15)17(20)21/h2-7,9-10,19H,1,8,11H2,(H,20,21)