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

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propyl-propoxycarbonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propyl-propoxycarbonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propyl-[oxo(propoxy)methyl]amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propyl-propoxycarbonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propyl-propoxycarbonyl-amino]propyl]-2-thenoic acid Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CCCOC(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C21H26ClNO4S/c1-2-14-27-21(26)23(12-4-7-16-6-3-8-17(22)15-16)13-5-9-18-10-11-19(28-18)20(24)25/h3,6,8,10-11,15H,2,4-5,7,9,12-14H2,1H3,(H,24,25)