4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)proline Formula: C28H25ClFNO5S MolecularWeight: 542.018203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(S5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C28H25ClFNO5S/c1-36-19-7-3-6-17(14-19)22-23(26(32)20-12-13-21(29)37-20)24(15-8-10-18(30)11-9-15)31(25(22)28(34)35)27(33)16-4-2-5-16/h3,6-14,16,22-25H,2,4-5H2,1H3,(H,34,35)