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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-proline Formula: C29H27ClFNO5S MolecularWeight: 556.044783

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C29H27ClFNO5S/c1-29(28(35)36)24(18-7-4-8-20(15-18)37-2)23(26(33)21-13-14-22(30)38-21)25(16-9-11-19(31)12-10-16)32(29)27(34)17-5-3-6-17/h4,7-15,17,23-25H,3,5-6H2,1-2H3,(H,35,36)