1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-benzyloxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-benzoxyphenyl)methyl]proline Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C26H24N2O3S/c29-26(30)22-10-6-16-28(22)24(25-27-21-9-4-5-11-23(21)32-25)19-12-14-20(15-13-19)31-17-18-7-2-1-3-8-18/h1-5,7-9,11-15,22,24H,6,10,16-17H2,(H,29,30)