2-methoxy-5-[(3-phenylpropanoylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(3-phenylpropanoylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[(3-phenylpropanoylamino)methyl]benzoic acid CAS Name: 2-methoxy-5-[[(1-oxo-3-phenylpropyl)amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[(3-phenylpropanoylamino)methyl]benzoic acid Traditional Name: 5-[(hydrocinnamoylamino)methyl]-2-methoxy-benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO4/c1-23-16-9-7-14(11-15(16)18(21)22)12-19-17(20)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,20)(H,21,22)