O3,O5-dimethyl O4-[(4-pyrazol-1-ylphenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-dimethyl O4-[(4-pyrazol-1-ylphenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-[(4-pyrazol-1-ylphenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-dimethyl ester O4-[[4-(1-pyrazolyl)phenyl]methyl] ester IUPAC Name: 3-O,5-O-dimethyl 4-O-[(4-pyrazol-1-ylphenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-dimethyl ester O4-(4-pyrazol-1-ylbenzyl) ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)OC

InChI

InChI=1S/C22H23N3O6/c1-13-17(20(26)29-3)19(18(14(2)24-13)21(27)30-4)22(28)31-12-15-6-8-16(9-7-15)25-11-5-10-23-25/h5-11,19,24H,12H2,1-4H3