1-[2-[1-(prop-2-enylcarbamoylamino)pentyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[1-(prop-2-enylcarbamoylamino)pentyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[1-(allylcarbamoylamino)pentyl]-1-(3-pyridylmethyl)benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[2-[1-[[oxo-(prop-2-enylamino)methyl]amino]pentyl]-1-(3-pyridinylmethyl)-5-benzimidazolyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[1-(prop-2-enylcarbamoylamino)pentyl]-1-(pyridin-3-ylmethyl)benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[1-(allylcarbamoylamino)pentyl]-1-(3-pyridylmethyl)benzimidazole-5-carbonyl]proline Formula: C28H34N6O4 MolecularWeight: 518.60736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C(=O)N4CCCC4C(=O)O)NC(=O)NCC=C

Isomeric SMILES

CCCCC(C1=NC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C(=O)N4CCCC4C(=O)O)NC(=O)NCC=C

InChI

InChI=1S/C28H34N6O4/c1-3-5-9-21(32-28(38)30-13-4-2)25-31-22-16-20(26(35)33-15-7-10-24(33)27(36)37)11-12-23(22)34(25)18-19-8-6-14-29-17-19/h4,6,8,11-12,14,16-17,21,24H,2-3,5,7,9-10,13,15,18H2,1H3,(H,36,37)(H2,30,32,38)