1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[asaryl(benzothiophen-3-yl)methyl]proline Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OC)OC

InChI

InChI=1S/C23H25NO5S/c1-27-18-12-20(29-3)19(28-2)11-15(18)22(24-10-6-8-17(24)23(25)26)16-13-30-21-9-5-4-7-14(16)21/h4-5,7,9,11-13,17,22H,6,8,10H2,1-3H3,(H,25,26)