3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 3-[(3-ethoxy-4-hydroxy-phenyl)methylamino]benzoic acid CAS Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]benzoic acid Traditional Name: 3-[(3-ethoxy-4-hydroxy-benzyl)amino]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-2-21-15-8-11(6-7-14(15)18)10-17-13-5-3-4-12(9-13)16(19)20/h3-9,17-18H,2,10H2,1H3,(H,19,20)