4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid CAS Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid Traditional Name: 4-[(homoveratrylamino)methyl]benzoic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C18H21NO4/c1-22-16-8-5-13(11-17(16)23-2)9-10-19-12-14-3-6-15(7-4-14)18(20)21/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)