3-[3-[3-(3-chlorophenyl)propylamino]propyl]benzoic acid

Systemtic Name: 3-[3-[3-(3-chlorophenyl)propylamino]propyl]benzoic acid Openeye Name: 3-[3-[3-(3-chlorophenyl)propylamino]propyl]benzoic acid CAS Name: 3-[3-[3-(3-chlorophenyl)propylamino]propyl]benzoic acid IUPAC Name: 3-[3-[3-(3-chlorophenyl)propylamino]propyl]benzoic acid Traditional Name: 3-[3-[3-(3-chlorophenyl)propylamino]propyl]benzoic acid Formula: C19H22ClNO2 MolecularWeight: 331.83648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCNCCCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCNCCCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H22ClNO2/c20-18-10-2-6-16(14-18)8-4-12-21-11-3-7-15-5-1-9-17(13-15)19(22)23/h1-2,5-6,9-10,13-14,21H,3-4,7-8,11-12H2,(H,22,23)