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

Systemtic Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-quinoxalin-2-yl-non-4-enoic acid Openeye Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]-3-quinoxalin-2-yl-non-4-enoic acid CAS Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3-(2-quinoxalinyl)-4-nonenoic acid IUPAC Name: (E)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-3-quinoxalin-2-ylnon-4-enoic acid Traditional Name: (E)-9-[6-(p-anisylamino)-2-pyridyl]-3-quinoxalin-2-yl-non-4-enoic acid Formula: C30H32N4O3 MolecularWeight: 496.60008

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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=NC4=CC=CC=C4N=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=CC=CC(=N2)CCCC/C=C/C(CC(=O)O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C30H32N4O3/c1-37-25-17-15-22(16-18-25)20-32-29-14-8-11-24(33-29)10-5-3-2-4-9-23(19-30(35)36)28-21-31-26-12-6-7-13-27(26)34-28/h4,6-9,11-18,21,23H,2-3,5,10,19-20H2,1H3,(H,32,33)(H,35,36)/b9-4+