methyl 2-[3-[3-[(E)-oct-3-enyl]phenyl]-4-oxidanylidene-5-phenyl-pyridin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[3-[(E)-oct-3-enyl]phenyl]-4-oxidanylidene-5-phenyl-pyridin-1-yl]ethanoate Openeye Name: methyl 2-[3-[3-[(E)-oct-3-enyl]phenyl]-4-oxo-5-phenyl-1-pyridyl]acetate CAS Name: 2-[3-[3-[(E)-oct-3-enyl]phenyl]-4-oxo-5-phenyl-1-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-[(E)-oct-3-enyl]phenyl]-4-oxo-5-phenylpyridin-1-yl]acetate Traditional Name: 2-[4-keto-3-[3-[(E)-oct-3-enyl]phenyl]-5-phenyl-1-pyridyl]acetic acid methyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CCCC/C=C/CCC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C28H31NO3/c1-3-4-5-6-7-9-13-22-14-12-17-24(18-22)26-20-29(21-27(30)32-2)19-25(28(26)31)23-15-10-8-11-16-23/h6-8,10-12,14-20H,3-5,9,13,21H2,1-2H3/b7-6+