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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO2/c1-2-15(12-4-3-5-13(17)10-12)18-14-8-6-11(7-9-14)16(19)20/h3-10,15,18H,2H2,1H3,(H,19,20)