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

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propyl-propan-2-yloxycarbonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propyl-isopropoxycarbonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propyl-[oxo(propan-2-yloxy)methyl]amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propyl-propan-2-yloxycarbonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propyl-isopropoxycarbonyl-amino]propyl]-2-thenoic acid Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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