3-[4-[[4-methyl-1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[[4-methyl-1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]-1-piperidyl]propanoic acid CAS Name: 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-2-benzimidazolyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]piperidino]propionic acid Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCC(=O)O)CC4=C(C=CC(=N4)C)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCC(=O)O)CC4=C(C=CC(=N4)C)O

InChI

InChI=1S/C23H29N5O3/c1-15-4-3-5-19-22(15)26-23(28(19)14-18-20(29)7-6-16(2)24-18)25-17-8-11-27(12-9-17)13-10-21(30)31/h3-7,17,29H,8-14H2,1-2H3,(H,25,26)(H,30,31)