3-methylbut-2-enyl 2-(2-hexyl-4-oxidanylidene-2,3-dihydropyridin-1-yl)-3-phenyl-propanoate

Systemtic Name: 3-methylbut-2-enyl 2-(2-hexyl-4-oxidanylidene-2,3-dihydropyridin-1-yl)-3-phenyl-propanoate Openeye Name: 3-methylbut-2-enyl 2-(2-hexyl-4-oxo-2,3-dihydropyridin-1-yl)-3-phenyl-propanoate CAS Name: 2-(2-hexyl-4-oxo-2,3-dihydropyridin-1-yl)-3-phenylpropanoic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 2-(2-hexyl-4-oxo-2,3-dihydropyridin-1-yl)-3-phenylpropanoate Traditional Name: 2-(2-hexyl-4-keto-2,3-dihydropyridin-1-yl)-3-phenyl-propionic acid 3-methylbut-2-enyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(=O)C=CN1C(CC2=CC=CC=C2)C(=O)OCC=C(C)C

Isomeric SMILES

CCCCCCC1CC(=O)C=CN1C(CC2=CC=CC=C2)C(=O)OCC=C(C)C

InChI

InChI=1S/C25H35NO3/c1-4-5-6-10-13-22-19-23(27)14-16-26(22)24(18-21-11-8-7-9-12-21)25(28)29-17-15-20(2)3/h7-9,11-12,14-16,22,24H,4-6,10,13,17-19H2,1-3H3