4-[5-[(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)amino]naphthalen-1-yl]oxybutanoic acid

Systemtic Name: 4-[5-[(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)amino]naphthalen-1-yl]oxybutanoic acid Openeye Name: 4-[[5-[(4-benzyloxy-6-phenyl-pyrimidin-2-yl)amino]-1-naphthyl]oxy]butanoic acid CAS Name: 4-[[5-[(4-phenyl-6-phenylmethoxy-2-pyrimidinyl)amino]-1-naphthalenyl]oxy]butanoic acid IUPAC Name: 4-[5-[(4-phenyl-6-phenylmethoxypyrimidin-2-yl)amino]naphthalen-1-yl]oxybutanoic acid Traditional Name: 4-[5-[(4-benzoxy-6-phenyl-pyrimidin-2-yl)amino]-1-naphthoxy]butyric acid Formula: C31H27N3O4 MolecularWeight: 505.56378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=CC5=C4C=CC=C5OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=CC5=C4C=CC=C5OCCCC(=O)O

InChI

InChI=1S/C31H27N3O4/c35-30(36)18-9-19-37-28-17-8-14-24-25(28)15-7-16-26(24)32-31-33-27(23-12-5-2-6-13-23)20-29(34-31)38-21-22-10-3-1-4-11-22/h1-8,10-17,20H,9,18-19,21H2,(H,35,36)(H,32,33,34)