3-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylamino]benzoic acid Openeye Name: 3-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylamino]benzoic acid CAS Name: 3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(4-allyloxy-3-bromo-5-methoxy-benzyl)amino]benzoic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-3-7-24-17-15(19)8-12(9-16(17)23-2)11-20-14-6-4-5-13(10-14)18(21)22/h3-6,8-10,20H,1,7,11H2,2H3,(H,21,22)