(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-tert-butylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-tert-butylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-tert-butylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-N-(2-tert-butylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-tert-butylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-tert-butylphenyl)pyrrolidine-2-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCCN2C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)[C@@H]2CCCN2C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H30N4O2/c1-25(2,3)17-9-4-5-10-18(17)28-24(31)21-13-8-16-29(21)23(30)15-14-22-26-19-11-6-7-12-20(19)27-22/h4-7,9-12,21H,8,13-16H2,1-3H3,(H,26,27)(H,28,31)/t21-/m0/s1