4-[[2-(aminomethyl)-5-chloranyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-(aminomethyl)-5-chloranyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(aminomethyl)-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(aminomethyl)-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(aminomethyl)-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(aminomethyl)-5-chloro-phenoxy]methyl]benzoic acid Formula: C15H14ClNO3 MolecularWeight: 291.72956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=CC(=C2)Cl)CN)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=CC(=C2)Cl)CN)C(=O)O

InChI

InChI=1S/C15H14ClNO3/c16-13-6-5-12(8-17)14(7-13)20-9-10-1-3-11(4-2-10)15(18)19/h1-7H,8-9,17H2,(H,18,19)