4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]benzoic acid Openeye Name: 4-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3-bromo-5-ethoxy-4-methoxy-benzyl)amino]benzoic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4/c1-3-23-15-9-11(8-14(18)16(15)22-2)10-19-13-6-4-12(5-7-13)17(20)21/h4-9,19H,3,10H2,1-2H3,(H,20,21)