8-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]octyl pyridine-3-carboxylate

Systemtic Name: 8-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]octyl pyridine-3-carboxylate Openeye Name: 8-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]octyl ester IUPAC Name: 8-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]phenoxy]octyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C29H31NO4/c31-28(25-11-6-5-7-12-25)19-16-24-14-17-27(18-15-24)33-21-8-3-1-2-4-9-22-34-29(32)26-13-10-20-30-23-26/h5-7,10-20,23H,1-4,8-9,21-22H2/b19-16+