3-[5-[methyl-[2-[2-[(4-methylpyridin-3-yl)amino]-3H-benzimidazol-5-yl]ethanoyl]amino]pyridin-2-yl]butanoic acid

Systemtic Name: 3-[5-[methyl-[2-[2-[(4-methylpyridin-3-yl)amino]-3H-benzimidazol-5-yl]ethanoyl]amino]pyridin-2-yl]butanoic acid Openeye Name: 3-[5-[methyl-[2-[2-[(4-methyl-3-pyridyl)amino]-3H-benzimidazol-5-yl]acetyl]amino]-2-pyridyl]butanoic acid CAS Name: 3-[5-[methyl-[2-[2-[(4-methyl-3-pyridinyl)amino]-3H-benzimidazol-5-yl]-1-oxoethyl]amino]-2-pyridinyl]butanoic acid IUPAC Name: 3-[5-[methyl-[2-[2-[(4-methylpyridin-3-yl)amino]-3H-benzimidazol-5-yl]acetyl]amino]pyridin-2-yl]butanoic acid Traditional Name: 3-[5-[methyl-[2-[2-[(4-methyl-3-pyridyl)amino]-3H-benzimidazol-5-yl]acetyl]amino]-2-pyridyl]butyric acid Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)NC2=NC3=C(N2)C=C(C=C3)CC(=O)N(C)C4=CN=C(C=C4)C(C)CC(=O)O

Isomeric SMILES

CC1=C(C=NC=C1)NC2=NC3=C(N2)C=C(C=C3)CC(=O)N(C)C4=CN=C(C=C4)C(C)CC(=O)O

InChI

InChI=1S/C25H26N6O3/c1-15-8-9-26-14-22(15)30-25-28-20-6-4-17(11-21(20)29-25)12-23(32)31(3)18-5-7-19(27-13-18)16(2)10-24(33)34/h4-9,11,13-14,16H,10,12H2,1-3H3,(H,33,34)(H2,28,29,30)