4-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-bromo-4-methoxy-phenyl)ethylamino]benzoic acid CAS Name: 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-bromo-4-methoxy-phenyl)ethylamino]benzoic acid Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16BrNO3/c1-10(12-5-8-15(21-2)14(17)9-12)18-13-6-3-11(4-7-13)16(19)20/h3-10,18H,1-2H3,(H,19,20)