ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-quinolin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-quinolin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(3-quinolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(3-quinolinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-quinolin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(3-quinolyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)C4=CC5=CC=CC=C5N=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)C4=CC5=CC=CC=C5N=C4)C

InChI

InChI=1S/C26H21N3O4/c1-3-31-26(30)23-15(2)29-25(18-10-16-6-4-5-7-20(16)28-13-18)19(12-27)24(23)17-8-9-21-22(11-17)33-14-32-21/h4-11,13,24,29H,3,14H2,1-2H3