4-(oxan-2-yloxy)-1-phenylmethoxycarbonyl-2-thiophen-3-yl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(oxan-2-yloxy)-1-phenylmethoxycarbonyl-2-thiophen-3-yl-pyrrolidine-3-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-tetrahydropyran-2-yloxy-2-(3-thienyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(2-oxanyloxy)-1-phenylmethoxycarbonyl-2-(3-thiophenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(oxan-2-yloxy)-1-phenylmethoxycarbonyl-2-thiophen-3-ylpyrrolidine-3-carboxylic acid Traditional Name: 1-carbobenzoxy-4-tetrahydropyran-2-yloxy-2-(3-thienyl)pyrrolidine-3-carboxylic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CN(C(C2C(=O)O)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OC2CN(C(C2C(=O)O)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25NO6S/c24-21(25)19-17(29-18-8-4-5-10-27-18)12-23(20(19)16-9-11-30-14-16)22(26)28-13-15-6-2-1-3-7-15/h1-3,6-7,9,11,14,17-20H,4-5,8,10,12-13H2,(H,24,25)