bis(3-methylbutyl) (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(3-methylbutyl) (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopentyl (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid bis(3-methylbutyl) ester IUPAC Name: bis(3-methylbutyl) (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylic acid diisoamyl ester Formula: C25H35NO4 MolecularWeight: 413.5497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCCC(C)C)C2=CC=CC=C2)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OCCC(C)C)C2=CC=CC=C2)C(=O)OCCC(C)C)C

InChI

InChI=1S/C25H35NO4/c1-16(2)12-14-29-24(27)21-18(5)26-19(6)22(25(28)30-15-13-17(3)4)23(21)20-10-8-7-9-11-20/h7-11,16-17,21,23H,12-15H2,1-6H3/t21?,23-/m0/s1