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

Systemtic Name: 3-[5-[ethyl-[2-[2-[(4-methylpyridin-3-yl)amino]-3H-benzimidazol-5-yl]ethanoyl]amino]pyridin-2-yl]butanoic acid Openeye Name: 3-[5-[ethyl-[2-[2-[(4-methyl-3-pyridyl)amino]-3H-benzimidazol-5-yl]acetyl]amino]-2-pyridyl]butanoic acid CAS Name: 3-[5-[ethyl-[2-[2-[(4-methyl-3-pyridinyl)amino]-3H-benzimidazol-5-yl]-1-oxoethyl]amino]-2-pyridinyl]butanoic acid IUPAC Name: 3-[5-[ethyl-[2-[2-[(4-methylpyridin-3-yl)amino]-3H-benzimidazol-5-yl]acetyl]amino]pyridin-2-yl]butanoic acid Traditional Name: 3-[5-[ethyl-[2-[2-[(4-methyl-3-pyridyl)amino]-3H-benzimidazol-5-yl]acetyl]amino]-2-pyridyl]butyric acid Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN=C(C=C1)C(C)CC(=O)O)C(=O)CC2=CC3=C(C=C2)N=C(N3)NC4=C(C=CN=C4)C

Isomeric SMILES

CCN(C1=CN=C(C=C1)C(C)CC(=O)O)C(=O)CC2=CC3=C(C=C2)N=C(N3)NC4=C(C=CN=C4)C

InChI

InChI=1S/C26H28N6O3/c1-4-32(19-6-8-20(28-14-19)17(3)11-25(34)35)24(33)13-18-5-7-21-22(12-18)30-26(29-21)31-23-15-27-10-9-16(23)2/h5-10,12,14-15,17H,4,11,13H2,1-3H3,(H,34,35)(H2,29,30,31)