4-[[3,5-bis(chloranyl)-2-ethoxy-phenyl]methylamino]benzoic acid

Systemtic Name: 4-[[3,5-bis(chloranyl)-2-ethoxy-phenyl]methylamino]benzoic acid Openeye Name: 4-[(3,5-dichloro-2-ethoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3,5-dichloro-2-ethoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3,5-dichloro-2-ethoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3,5-dichloro-2-ethoxy-benzyl)amino]benzoic acid Formula: C16H15Cl2NO3 MolecularWeight: 340.2012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNC2=CC=C(C=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1CNC2=CC=C(C=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H15Cl2NO3/c1-2-22-15-11(7-12(17)8-14(15)18)9-19-13-5-3-10(4-6-13)16(20)21/h3-8,19H,2,9H2,1H3,(H,20,21)