2-[[2-[[1-[4-[2,4-bis(fluoranyl)phenyl]phenyl]piperidin-4-yl]methyl]-6-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[[1-[4-[2,4-bis(fluoranyl)phenyl]phenyl]piperidin-4-yl]methyl]-6-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[[1-[4-(2,4-difluorophenyl)phenyl]-4-piperidyl]methyl]-5-hydroxy-6-methyl-pyrimidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[2-[[1-[4-(2,4-difluorophenyl)phenyl]-4-piperidinyl]methyl]-5-hydroxy-6-methyl-4-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[[1-[4-(2,4-difluorophenyl)phenyl]piperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[2-[[1-[4-(2,4-difluorophenyl)phenyl]-4-piperidyl]methyl]-5-hydroxy-6-methyl-pyrimidine-4-carbonyl]amino]acetic acid Formula: C26H26F2N4O4 MolecularWeight: 496.505846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1O)C(=O)NCC(=O)O)CC2CCN(CC2)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=NC(=NC(=C1O)C(=O)NCC(=O)O)CC2CCN(CC2)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C26H26F2N4O4/c1-15-25(35)24(26(36)29-14-23(33)34)31-22(30-15)12-16-8-10-32(11-9-16)19-5-2-17(3-6-19)20-7-4-18(27)13-21(20)28/h2-7,13,16,35H,8-12,14H2,1H3,(H,29,36)(H,33,34)