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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)proline Formula: C30H31ClN2O5S MolecularWeight: 567.09554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(C(N2C(=O)C3CCC3)C(=O)O)C4=CC(=CC=C4)OC)C(=O)C5=CC=C(S5)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C(C(C(N2C(=O)C3CCC3)C(=O)O)C4=CC(=CC=C4)OC)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C30H31ClN2O5S/c1-32(2)20-12-10-17(11-13-20)26-25(28(34)22-14-15-23(31)39-22)24(19-8-5-9-21(16-19)38-3)27(30(36)37)33(26)29(35)18-6-4-7-18/h5,8-16,18,24-27H,4,6-7H2,1-3H3,(H,36,37)