[(E)-2-oxidanyl-1-phenoxy-4-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]but-3-en-2-yl] pyridine-3-carboxylate

Systemtic Name: [(E)-2-oxidanyl-1-phenoxy-4-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]but-3-en-2-yl] pyridine-3-carboxylate Openeye Name: [(E)-1-hydroxy-1-(phenoxymethyl)-3-[4-[(E)-2-(3-pyridyl)vinyl]phenyl]allyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(E)-2-hydroxy-1-phenoxy-4-[4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]but-3-en-2-yl] ester IUPAC Name: [(E)-2-hydroxy-1-phenoxy-4-[4-[(E)-2-pyridin-3-ylethenyl]phenyl]but-3-en-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(E)-1-hydroxy-1-(phenoxymethyl)-3-[4-[(E)-2-(3-pyridyl)vinyl]phenyl]allyl] ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C=CC2=CC=C(C=C2)C=CC3=CN=CC=C3)(O)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OCC(/C=C/C2=CC=C(C=C2)/C=C/C3=CN=CC=C3)(O)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H24N2O4/c32-28(26-7-5-19-31-21-26)35-29(33,22-34-27-8-2-1-3-9-27)17-16-24-12-10-23(11-13-24)14-15-25-6-4-18-30-20-25/h1-21,33H,22H2/b15-14+,17-16+