9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]-3-(2-methylpyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3-(2-methyl-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-(2-methylpyrimidin-5-yl)nonanoic acid Traditional Name: 3-(2-methylpyrimidin-5-yl)-9-[6-(p-anisylamino)-2-pyridyl]pelargonic acid Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CCCCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC)CC(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCCCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC)CC(=O)O

InChI

InChI=1S/C27H34N4O3/c1-20-28-18-23(19-29-20)22(16-27(32)33)8-5-3-4-6-9-24-10-7-11-26(31-24)30-17-21-12-14-25(34-2)15-13-21/h7,10-15,18-19,22H,3-6,8-9,16-17H2,1-2H3,(H,30,31)(H,32,33)