1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]proline Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCCC5C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCCC5C(=O)O

InChI

InChI=1S/C28H28N2O5S/c1-33-22-15-19(16-23(34-2)26(22)35-17-18-9-4-3-5-10-18)25(30-14-8-12-21(30)28(31)32)27-29-20-11-6-7-13-24(20)36-27/h3-7,9-11,13,15-16,21,25H,8,12,14,17H2,1-2H3,(H,31,32)