5-[3-[3-(3-chlorophenyl)propylamino]propyl]furan-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propylamino]propyl]furan-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propylamino]propyl]furan-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propylamino]propyl]-2-furancarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propylamino]propyl]furan-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propylamino]propyl]-2-furoic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCNCCCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCNCCCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C17H20ClNO3/c18-14-6-1-4-13(12-14)5-2-10-19-11-3-7-15-8-9-16(22-15)17(20)21/h1,4,6,8-9,12,19H,2-3,5,7,10-11H2,(H,20,21)