2-[[6-methyl-5-oxidanyl-2-[[4-(4-pyridin-3-ylphenyl)cyclohexyl]methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-methyl-5-oxidanyl-2-[[4-(4-pyridin-3-ylphenyl)cyclohexyl]methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-hydroxy-6-methyl-2-[[4-[4-(3-pyridyl)phenyl]cyclohexyl]methyl]pyrimidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[5-hydroxy-6-methyl-2-[[4-[4-(3-pyridinyl)phenyl]cyclohexyl]methyl]-4-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-hydroxy-6-methyl-2-[[4-(4-pyridin-3-ylphenyl)cyclohexyl]methyl]pyrimidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[5-hydroxy-6-methyl-2-[[4-[4-(3-pyridyl)phenyl]cyclohexyl]methyl]pyrimidine-4-carbonyl]amino]acetic acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1O)C(=O)NCC(=O)O)CC2CCC(CC2)C3=CC=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1O)C(=O)NCC(=O)O)CC2CCC(CC2)C3=CC=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-16-25(33)24(26(34)28-15-23(31)32)30-22(29-16)13-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-3-2-12-27-14-21/h2-3,8-12,14,17-18,33H,4-7,13,15H2,1H3,(H,28,34)(H,31,32)