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

Systemtic Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-pyrimidin-5-yl-non-4-enoic acid Openeye Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]-3-pyrimidin-5-yl-non-4-enoic acid CAS Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3-(5-pyrimidinyl)-4-nonenoic acid IUPAC Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-pyrimidin-5-ylnon-4-enoic acid Traditional Name: (E)-9-[6-(p-anisylamino)-2-pyridyl]-3-(5-pyrimidyl)non-4-enoic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=CC=CC(=N2)CCCCC=CC(CC(=O)O)C3=CN=CN=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=CC=CC(=N2)CCCC/C=C/C(CC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C26H30N4O3/c1-33-24-13-11-20(12-14-24)16-29-25-10-6-9-23(30-25)8-5-3-2-4-7-21(15-26(31)32)22-17-27-19-28-18-22/h4,6-7,9-14,17-19,21H,2-3,5,8,15-16H2,1H3,(H,29,30)(H,31,32)/b7-4+