8-[4-[(E)-3-oxidanylidenebut-1-enyl]phenoxy]octyl pyridine-3-carboxylate

Systemtic Name: 8-[4-[(E)-3-oxidanylidenebut-1-enyl]phenoxy]octyl pyridine-3-carboxylate Openeye Name: 8-[4-[(E)-3-oxobut-1-enyl]phenoxy]octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-[4-[(E)-3-oxobut-1-enyl]phenoxy]octyl ester IUPAC Name: 8-[4-[(E)-3-oxobut-1-enyl]phenoxy]octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-[4-[(E)-3-ketobut-1-enyl]phenoxy]octyl ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)OCCCCCCCCOC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)/C=C/C1=CC=C(C=C1)OCCCCCCCCOC(=O)C2=CN=CC=C2

InChI

InChI=1S/C24H29NO4/c1-20(26)10-11-21-12-14-23(15-13-21)28-17-6-4-2-3-5-7-18-29-24(27)22-9-8-16-25-19-22/h8-16,19H,2-7,17-18H2,1H3/b11-10+