1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-methoxy-phenyl)methyl]proline Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27NO4S/c1-32-25-16-20(13-14-24(25)33-17-19-8-3-2-4-9-19)27(29-15-7-11-23(29)28(30)31)22-18-34-26-12-6-5-10-21(22)26/h2-6,8-10,12-14,16,18,23,27H,7,11,15,17H2,1H3,(H,30,31)