ethyl 1-(2,5-dimethylpyrazol-3-yl)carbonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,5-dimethylpyrazol-3-yl)carbonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2,5-dimethylpyrazole-3-carbonyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-dimethylpyrazole-3-carbonyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(2,5-dimethylpyrazole-3-carbonyl)-4-p-anisyl-isonipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NN2C)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NN2C)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4/c1-5-29-21(27)22(15-17-6-8-18(28-4)9-7-17)10-12-25(13-11-22)20(26)19-14-16(2)23-24(19)3/h6-9,14H,5,10-13,15H2,1-4H3