8-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]octyl pyridine-3-carboxylate

Systemtic Name: 8-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]octyl pyridine-3-carboxylate Openeye Name: 8-[4-(1,3-dioxoisoindolin-2-yl)phenoxy]octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-[4-(1,3-dioxo-2-isoindolyl)phenoxy]octyl ester IUPAC Name: 8-[4-(1,3-dioxoisoindol-2-yl)phenoxy]octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-(4-phthalimidophenoxy)octyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H28N2O5/c31-26-24-11-5-6-12-25(24)27(32)30(26)22-13-15-23(16-14-22)34-18-7-3-1-2-4-8-19-35-28(33)21-10-9-17-29-20-21/h5-6,9-17,20H,1-4,7-8,18-19H2