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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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