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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-5-(4-dimethylaminophenyl)-3-(3-methoxyphenyl)proline Formula: C32H35ClN2O5S MolecularWeight: 595.1487

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(C(N2C(=O)C3CCCCC3)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)C3CCCCC3)C(=O)O)C4=CC(=CC=C4)OC)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C32H35ClN2O5S/c1-34(2)22-14-12-19(13-15-22)28-27(30(36)24-16-17-25(33)41-24)26(21-10-7-11-23(18-21)40-3)29(32(38)39)35(28)31(37)20-8-5-4-6-9-20/h7,10-18,20,26-29H,4-6,8-9H2,1-3H3,(H,38,39)