5-[3-[3-(3-chlorophenyl)propyl-pyridin-3-ylcarbonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propyl-pyridin-3-ylcarbonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propyl-(pyridine-3-carbonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propyl-[oxo(3-pyridinyl)methyl]amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propyl-(pyridine-3-carbonyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propyl-nicotinoyl-amino]propyl]-2-thenoic acid Formula: C23H23ClN2O3S MolecularWeight: 442.95832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCN(CCCC2=CC=C(S2)C(=O)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCN(CCCC2=CC=C(S2)C(=O)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H23ClN2O3S/c24-19-8-1-5-17(15-19)6-3-13-26(22(27)18-7-2-12-25-16-18)14-4-9-20-10-11-21(30-20)23(28)29/h1-2,5,7-8,10-12,15-16H,3-4,6,9,13-14H2,(H,28,29)