O5-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] O3-methyl 4-(2-ethynyl-6-fluoranyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] O3-methyl 4-(2-ethynyl-6-fluoranyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] O3-methyl 4-(2-ethynyl-6-fluoro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethynyl-6-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-[1-(4-fluorophenyl)-2-piperazinyl]propyl] ester O3-methyl ester IUPAC Name: 5-O-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] 3-O-methyl 4-(2-ethynyl-6-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethynyl-6-fluoro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] ester O3-methyl ester Formula: C31H33F2N3O4 MolecularWeight: 549.608226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2CNCCN2C3=CC=C(C=C3)F)C4=C(C=CC=C4F)C#C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2CNCCN2C3=CC=C(C=C3)F)C4=C(C=CC=C4F)C#C)C(=O)OC

InChI

InChI=1S/C31H33F2N3O4/c1-5-21-8-6-10-25(33)28(21)29-26(30(37)39-4)19(2)35-20(3)27(29)31(38)40-17-7-9-24-18-34-15-16-36(24)23-13-11-22(32)12-14-23/h1,6,8,10-14,24,29,34-35H,7,9,15-18H2,2-4H3