1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-benzyloxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-benzoxyphenyl)methyl]proline Formula: C27H25NO3S MolecularWeight: 443.5573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H25NO3S/c29-27(30)23-13-8-16-28(23)26(22-18-32-25-15-7-5-11-20(22)25)21-12-4-6-14-24(21)31-17-19-9-2-1-3-10-19/h1-7,9-12,14-15,18,23,26H,8,13,16-17H2,(H,29,30)