3-[1-(4-bromophenyl)propylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[1-(4-bromophenyl)propylamino]-2-methyl-benzoic acid Openeye Name: 3-[1-(4-bromophenyl)propylamino]-2-methyl-benzoic acid CAS Name: 3-[1-(4-bromophenyl)propylamino]-2-methylbenzoic acid IUPAC Name: 3-[1-(4-bromophenyl)propylamino]-2-methylbenzoic acid Traditional Name: 3-[1-(4-bromophenyl)propylamino]-2-methyl-benzoic acid Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C17H18BrNO2/c1-3-15(12-7-9-13(18)10-8-12)19-16-6-4-5-14(11(16)2)17(20)21/h4-10,15,19H,3H2,1-2H3,(H,20,21)