1-(3,4-dichlorophenyl)carbonyl-4-methoxycarbonyl-2-(phenylmethyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3,4-dichlorophenyl)carbonyl-4-methoxycarbonyl-2-(phenylmethyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyl-1-(3,4-dichlorobenzoyl)-4-methoxycarbonyl-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-oxomethyl]-4-methoxycarbonyl-2-(phenylmethyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-benzyl-1-(3,4-dichlorobenzoyl)-4-methoxycarbonyl-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 2-benzyl-4-carbomethoxy-1-(3,4-dichlorobenzoyl)-5-(2-thienyl)proline Formula: C25H21Cl2NO5S MolecularWeight: 518.40894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC(=C(C=C3)Cl)Cl)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC(=C(C=C3)Cl)Cl)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H21Cl2NO5S/c1-33-23(30)17-14-25(24(31)32,13-15-6-3-2-4-7-15)28(21(17)20-8-5-11-34-20)22(29)16-9-10-18(26)19(27)12-16/h2-12,17,21H,13-14H2,1H3,(H,31,32)