(E)-9-[6-[(4-methoxyphenyl)methyl-methyl-amino]pyridin-2-yl]-3-pyrimidin-5-yl-non-4-enoic acid

Systemtic Name: (E)-9-[6-[(4-methoxyphenyl)methyl-methyl-amino]pyridin-2-yl]-3-pyrimidin-5-yl-non-4-enoic acid Openeye Name: (E)-9-[6-[(4-methoxyphenyl)methyl-methyl-amino]-2-pyridyl]-3-pyrimidin-5-yl-non-4-enoic acid CAS Name: (E)-9-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-3-(5-pyrimidinyl)-4-nonenoic acid IUPAC Name: (E)-9-[6-[(4-methoxyphenyl)methyl-methylamino]pyridin-2-yl]-3-pyrimidin-5-ylnon-4-enoic acid Traditional Name: (E)-9-[6-[methyl(p-anisyl)amino]-2-pyridyl]-3-(5-pyrimidyl)non-4-enoic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C2=CC=CC(=N2)CCCCC=CC(CC(=O)O)C3=CN=CN=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C2=CC=CC(=N2)CCCC/C=C/C(CC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C27H32N4O3/c1-31(19-21-12-14-25(34-2)15-13-21)26-11-7-10-24(30-26)9-6-4-3-5-8-22(16-27(32)33)23-17-28-20-29-18-23/h5,7-8,10-15,17-18,20,22H,3-4,6,9,16,19H2,1-2H3,(H,32,33)/b8-5+