(4-pyrazol-1-ylphenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H31N3O4/c1-3-4-17-29-25(31)15-14-23(26(29)22-8-5-6-9-24(22)33-2)27(32)34-19-20-10-12-21(13-11-20)30-18-7-16-28-30/h5-13,16,18,23,26H,3-4,14-15,17,19H2,1-2H3