propyl 1-(2-cyanoethyl)-5-(4-methyl-3-octyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: propyl 1-(2-cyanoethyl)-5-(4-methyl-3-octyl-phenyl)-4-oxidanylidene-pyridine-3-carboxylate Openeye Name: propyl 1-(2-cyanoethyl)-5-(4-methyl-3-octyl-phenyl)-4-oxo-pyridine-3-carboxylate CAS Name: 1-(2-cyanoethyl)-5-(4-methyl-3-octylphenyl)-4-oxo-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 1-(2-cyanoethyl)-5-(4-methyl-3-octylphenyl)-4-oxopyridine-3-carboxylate Traditional Name: 1-(2-cyanoethyl)-4-keto-5-(4-methyl-3-octyl-phenyl)nicotinic acid propyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C2=CN(C=C(C2=O)C(=O)OCCC)CCC#N)C

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)C2=CN(C=C(C2=O)C(=O)OCCC)CCC#N)C

InChI

InChI=1S/C27H36N2O3/c1-4-6-7-8-9-10-12-22-18-23(14-13-21(22)3)24-19-29(16-11-15-28)20-25(26(24)30)27(31)32-17-5-2/h13-14,18-20H,4-12,16-17H2,1-3H3