4,4-bis[4-(pyrimidin-2-ylmethoxy)phenyl]pentanoic acid

Systemtic Name: 4,4-bis[4-(pyrimidin-2-ylmethoxy)phenyl]pentanoic acid Openeye Name: 4,4-bis[4-(pyrimidin-2-ylmethoxy)phenyl]pentanoic acid CAS Name: 4,4-bis[4-(2-pyrimidinylmethoxy)phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-(pyrimidin-2-ylmethoxy)phenyl]pentanoic acid Traditional Name: 4,4-bis[4-(2-pyrimidylmethoxy)phenyl]valeric acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC=C(C=C1)OCC2=NC=CC=N2)C3=CC=C(C=C3)OCC4=NC=CC=N4

Isomeric SMILES

CC(CCC(=O)O)(C1=CC=C(C=C1)OCC2=NC=CC=N2)C3=CC=C(C=C3)OCC4=NC=CC=N4

InChI

InChI=1S/C27H26N4O4/c1-27(13-12-26(32)33,20-4-8-22(9-5-20)34-18-24-28-14-2-15-29-24)21-6-10-23(11-7-21)35-19-25-30-16-3-17-31-25/h2-11,14-17H,12-13,18-19H2,1H3,(H,32,33)