ethyl 4-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(2-methoxyethyl)-1-(5-methyl-2-pyrazol-1-yl-benzyl)isonipecotic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C(C=CC(=C2)C)N3C=CC=N3)CCOC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(C=CC(=C2)C)N3C=CC=N3)CCOC

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)22(10-15-27-3)8-13-24(14-9-22)17-19-16-18(2)6-7-20(19)25-12-5-11-23-25/h5-7,11-12,16H,4,8-10,13-15,17H2,1-3H3