O5-ethyl O3-(4-pyridin-3-ylbut-3-ynyl) 2-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-(4-pyridin-3-ylbut-3-ynyl) 2-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-[4-(3-pyridyl)but-3-ynyl] 2-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[4-(3-pyridinyl)but-3-ynyl] ester IUPAC Name: 5-O-ethyl 3-O-(4-pyridin-3-ylbut-3-ynyl) 2-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[4-(3-pyridyl)but-3-ynyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C(C1CCC2=CC=CC=C2)C(=O)OCCC#CC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CNC(=C(C1CCC2=CC=CC=C2)C(=O)OCCC#CC3=CN=CC=C3)C

InChI

InChI=1S/C27H28N2O4/c1-3-32-26(30)24-19-29-20(2)25(23(24)15-14-21-10-5-4-6-11-21)27(31)33-17-8-7-12-22-13-9-16-28-18-22/h4-6,9-11,13,16,18-19,23,29H,3,8,14-15,17H2,1-2H3