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

Systemtic Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-(3,3-dimethyl-1-oxobutyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C30H30N2O4S MolecularWeight: 514.6352

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

InChI

InChI=1S/C30H30N2O4S/c1-18-7-11-21(12-8-18)28(34)25-24(22-6-5-15-37-22)27(29(35)36)32(23(33)16-30(2,3)4)26(25)20-13-9-19(17-31)10-14-20/h5-15,24-27H,16H2,1-4H3,(H,35,36)