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

Systemtic Name: O5-ethyl O3-(4-pyridin-3-ylbut-3-ynyl) 2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-[4-(3-pyridyl)but-3-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-[4-(3-pyridinyl)but-3-ynyl] ester IUPAC Name: 5-O-ethyl 3-O-(4-pyridin-3-ylbut-3-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-[4-(3-pyridyl)but-3-ynyl] ester Formula: C38H42N4O4 MolecularWeight: 618.76448

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H42N4O4/c1-4-45-38(44)35-33(20-15-29-11-6-5-7-12-29)34(37(43)46-26-9-8-13-30-14-10-21-39-27-30)28(2)40-36(35)31-16-18-32(19-17-31)42-24-22-41(3)23-25-42/h5-7,10-12,14,16-19,21,27,33,40H,4,9,15,20,22-26H2,1-3H3