4-[[(2-ethoxy-3-methoxy-phenyl)methylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-ethoxy-3-methoxy-phenyl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(2-ethoxy-3-methoxy-phenyl)methylamino]methyl]benzoic acid CAS Name: 4-[[(2-ethoxy-3-methoxyphenyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-ethoxy-3-methoxyphenyl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(2-ethoxy-3-methoxy-benzyl)amino]methyl]benzoic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1OC)CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC=C1OC)CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H21NO4/c1-3-23-17-15(5-4-6-16(17)22-2)12-19-11-13-7-9-14(10-8-13)18(20)21/h4-10,19H,3,11-12H2,1-2H3,(H,20,21)