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

Systemtic Name: 3-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylamino]benzoic acid Openeye Name: 3-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methylamino]benzoic acid CAS Name: 3-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(4-allyloxy-3-bromo-5-ethoxy-benzyl)amino]benzoic acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-3-8-25-18-16(20)9-13(10-17(18)24-4-2)12-21-15-7-5-6-14(11-15)19(22)23/h3,5-7,9-11,21H,1,4,8,12H2,2H3,(H,22,23)