9-[6-[(4-methoxyphenyl)methyl-methyl-amino]pyridin-2-yl]-3-quinoxalin-2-yl-nonanoic acid

Systemtic Name: 9-[6-[(4-methoxyphenyl)methyl-methyl-amino]pyridin-2-yl]-3-quinoxalin-2-yl-nonanoic acid Openeye Name: 9-[6-[(4-methoxyphenyl)methyl-methyl-amino]-2-pyridyl]-3-quinoxalin-2-yl-nonanoic acid CAS Name: 9-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-3-(2-quinoxalinyl)nonanoic acid IUPAC Name: 9-[6-[(4-methoxyphenyl)methyl-methylamino]pyridin-2-yl]-3-quinoxalin-2-ylnonanoic acid Traditional Name: 9-[6-[methyl(p-anisyl)amino]-2-pyridyl]-3-quinoxalin-2-yl-pelargonic acid Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C2=CC=CC(=N2)CCCCCCC(CC(=O)O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C2=CC=CC(=N2)CCCCCCC(CC(=O)O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C31H36N4O3/c1-35(22-23-16-18-26(38-2)19-17-23)30-15-9-12-25(33-30)11-6-4-3-5-10-24(20-31(36)37)29-21-32-27-13-7-8-14-28(27)34-29/h7-9,12-19,21,24H,3-6,10-11,20,22H2,1-2H3,(H,36,37)