5-(4-cyanophenyl)-2-methyl-4-(4-methylphenyl)carbonyl-1-(2-phenoxyethanoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylphenyl)carbonyl-1-(2-phenoxyethanoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(2-phenoxyacetyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-2-methyl-4-[(4-methylphenyl)-oxomethyl]-1-(1-oxo-2-phenoxyethyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(2-phenoxyacetyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-2-methyl-1-(2-phenoxyacetyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C33H28N2O5S MolecularWeight: 564.65082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)COC4=CC=CC=C4)(C)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)COC4=CC=CC=C4)(C)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C33H28N2O5S/c1-21-10-14-24(15-11-21)31(37)28-29(26-9-6-18-41-26)33(2,32(38)39)35(27(36)20-40-25-7-4-3-5-8-25)30(28)23-16-12-22(19-34)13-17-23/h3-18,28-30H,20H2,1-2H3,(H,38,39)