ethyl 1-[2-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperidine-2-carboxylate CAS Name: 1-[2-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-2-carboxylate Traditional Name: 1-[2-keto-2-[3-(3-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]ethyl]pipecolinic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1CC(=O)N2C(CC(=N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCCN1CC(=O)N2C(CC(=N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4/c1-3-33-26(31)23-14-7-8-15-28(23)18-25(30)29-24(19-10-5-4-6-11-19)17-22(27-29)20-12-9-13-21(16-20)32-2/h4-6,9-13,16,23-24H,3,7-8,14-15,17-18H2,1-2H3