3-[1-(3-bromophenyl)ethylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[1-(3-bromophenyl)ethylamino]-4-methyl-benzoic acid Openeye Name: 3-[1-(3-bromophenyl)ethylamino]-4-methyl-benzoic acid CAS Name: 3-[1-(3-bromophenyl)ethylamino]-4-methylbenzoic acid IUPAC Name: 3-[1-(3-bromophenyl)ethylamino]-4-methylbenzoic acid Traditional Name: 3-[1-(3-bromophenyl)ethylamino]-4-methyl-benzoic acid Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H16BrNO2/c1-10-6-7-13(16(19)20)9-15(10)18-11(2)12-4-3-5-14(17)8-12/h3-9,11,18H,1-2H3,(H,19,20)