1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]proline Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C25H25NO2S/c1-29-22-15-13-21(14-16-22)24(26-17-5-8-23(26)25(27)28)20-11-9-19(10-12-20)18-6-3-2-4-7-18/h2-4,6-7,9-16,23-24H,5,8,17H2,1H3,(H,27,28)