O3-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] O5-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-bis(oxidanyl)pyridine-3,5-dicarboxylate

Systemtic Name: O3-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] O5-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-bis(oxidanyl)pyridine-3,5-dicarboxylate Openeye Name: O3-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] O5-methyl 4-(3-ethynylphenyl)-1,4-dihydroxy-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(3-ethynylphenyl)-1,4-dihydroxy-2,6-dimethylpyridine-3,5-dicarboxylic acid O3-[3-[1-(4-fluorophenyl)-2-piperazinyl]propyl] ester O5-methyl ester IUPAC Name: 3-O-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] 5-O-methyl 4-(3-ethynylphenyl)-1,4-dihydroxy-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-ethynylphenyl)-1,4-dihydroxy-2,6-dimethyl-pyridine-3,5-dicarboxylic acid O3-[3-[1-(4-fluorophenyl)piperazin-2-yl]propyl] ester O5-methyl ester Formula: C31H34FN3O6 MolecularWeight: 563.616563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1O)C)C(=O)OCCCC2CNCCN2C3=CC=C(C=C3)F)(C4=CC=CC(=C4)C#C)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1O)C)C(=O)OCCCC2CNCCN2C3=CC=C(C=C3)F)(C4=CC=CC(=C4)C#C)O)C(=O)OC

InChI

InChI=1S/C31H34FN3O6/c1-5-22-8-6-9-23(18-22)31(38)27(29(36)40-4)20(2)35(39)21(3)28(31)30(37)41-17-7-10-26-19-33-15-16-34(26)25-13-11-24(32)12-14-25/h1,6,8-9,11-14,18,26,33,38-39H,7,10,15-17,19H2,2-4H3