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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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