1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-isopropylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(p-cumenyl)methyl]proline Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C23H25NO2S/c1-15(2)16-9-11-17(12-10-16)22(24-13-5-7-20(24)23(25)26)19-14-27-21-8-4-3-6-18(19)21/h3-4,6,8-12,14-15,20,22H,5,7,13H2,1-2H3,(H,25,26)