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

Systemtic Name: 5-(4-cyanophenyl)-1-(3-methylbutanoyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-(3-methyl-1-oxobutyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-isovaleryl-4-p-toluoyl-3-(2-thienyl)proline Formula: C29H28N2O4S MolecularWeight: 500.60862

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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)CC(C)C)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)CC(C)C)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C29H28N2O4S/c1-17(2)15-23(32)31-26(20-12-8-19(16-30)9-13-20)25(28(33)21-10-6-18(3)7-11-21)24(27(31)29(34)35)22-5-4-14-36-22/h4-14,17,24-27H,15H2,1-3H3,(H,34,35)