ethyl 5-butanoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-butanoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-butanoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-(1-oxobutyl)-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-butanoyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-butyryl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C

Isomeric SMILES

CCCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C

InChI

InChI=1S/C20H25NO3/c1-5-10-16(22)17-13(3)21-14(4)18(20(23)24-6-2)19(17)15-11-8-7-9-12-15/h7-9,11-12,19,21H,5-6,10H2,1-4H3