CHEBI:104910 - 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
ChEBI ID CHEBI:104910
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H26FNO7
Net Charge 0
Average Mass 471.476
Monoisotopic Mass 471.16933
InChI InChI=1S/C25H26FNO7/c1-30-20-10-16(11-21(31-2)23(20)32-3)22-18(24(28)33-4)13-27(14-19(22)25(29)34-5)12-15-6-8-17(26)9-7-15/h6-11,13-14,22H,12H2,1-5H3
InChIKey FWLARKPWDNSLGG-UHFFFAOYSA-N
SMILES COC1=CC(=CC(=C1OC)OC)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC
ChEBI Ontology
Outgoing 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester (CHEBI:104910) is a dihydropyridine (CHEBI:50075)
Manual Xref Database
LSM-16273 LINCS
View more database links