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

Systemtic Name: 3-[(3-methoxy-4-prop-2-enoxy-phenyl)methylamino]benzoic acid Openeye Name: 3-[(4-allyloxy-3-methoxy-phenyl)methylamino]benzoic acid CAS Name: 3-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(4-allyloxy-3-methoxy-benzyl)amino]benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-3-9-23-16-8-7-13(10-17(16)22-2)12-19-15-6-4-5-14(11-15)18(20)21/h3-8,10-11,19H,1,9,12H2,2H3,(H,20,21)