2-[3-[2-chloranyl-6-methoxy-3-[(2-oxidanylidene-4-pentoxy-pyridin-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[2-chloranyl-6-methoxy-3-[(2-oxidanylidene-4-pentoxy-pyridin-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-chloro-6-methoxy-3-[(2-oxo-4-pentoxy-1-pyridyl)methyl]phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-chloro-6-methoxy-3-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]phenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-chloro-6-methoxy-3-[(2-oxo-4-pentoxypyridin-1-yl)methyl]phenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[(4-amoxy-2-keto-1-pyridyl)methyl]-2-chloro-6-methoxy-phenoxy]propyl]isoindoline-1,3-quinone Formula: C29H31ClN2O6 MolecularWeight: 539.01924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=O)N(C=C1)CC2=C(C(=C(C=C2)OC)OCCCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CCCCCOC1=CC(=O)N(C=C1)CC2=C(C(=C(C=C2)OC)OCCCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C29H31ClN2O6/c1-3-4-7-16-37-21-13-15-31(25(33)18-21)19-20-11-12-24(36-2)27(26(20)30)38-17-8-14-32-28(34)22-9-5-6-10-23(22)29(32)35/h5-6,9-13,15,18H,3-4,7-8,14,16-17,19H2,1-2H3