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

Systemtic Name: 4-(oxan-2-yloxymethyl)-1-phenylmethoxycarbonyl-2-thiophen-3-yl-pyrrolidine-3-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(tetrahydropyran-2-yloxymethyl)-2-(3-thienyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(2-oxanyloxymethyl)-1-phenylmethoxycarbonyl-2-(3-thiophenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(oxan-2-yloxymethyl)-1-phenylmethoxycarbonyl-2-thiophen-3-ylpyrrolidine-3-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(tetrahydropyran-2-yloxymethyl)-2-(3-thienyl)pyrrolidine-3-carboxylic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2CN(C(C2C(=O)O)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCC2CN(C(C2C(=O)O)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27NO6S/c25-22(26)20-18(14-29-19-8-4-5-10-28-19)12-24(21(20)17-9-11-31-15-17)23(27)30-13-16-6-2-1-3-7-16/h1-3,6-7,9,11,15,18-21H,4-5,8,10,12-14H2,(H,25,26)