O5-ethyl O3-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-[3-(3-pyridyl)prop-2-ynyl] 2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[4-(4-methyl-1-piperazinyl)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[3-(3-pyridinyl)prop-2-ynyl] ester IUPAC Name: 5-O-ethyl 3-O-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[4-(4-methylpiperazino)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C37H40N4O4 MolecularWeight: 604.7379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C37H40N4O4/c1-4-44-37(43)34-32(19-14-28-10-6-5-7-11-28)33(36(42)45-25-9-13-29-12-8-20-38-26-29)27(2)39-35(34)30-15-17-31(18-16-30)41-23-21-40(3)22-24-41/h5-8,10-12,15-18,20,26,32,39H,4,14,19,21-25H2,1-3H3