[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-keto-2-[(5S)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2[C@@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O5/c1-3-33-25-21(10-7-15-27-25)26(31)34-17-24(30)29-23(19-11-13-20(32-2)14-12-19)16-22(28-29)18-8-5-4-6-9-18/h4-15,23H,3,16-17H2,1-2H3/t23-/m0/s1