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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-phenoxyphenyl)methyl]proline Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H23NO3S/c28-26(29)23-13-7-15-27(23)25(22-17-31-24-14-5-4-12-21(22)24)18-8-6-11-20(16-18)30-19-9-2-1-3-10-19/h1-6,8-12,14,16-17,23,25H,7,13,15H2,(H,28,29)