ethyl 4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-4-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-4-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-4-yl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(5-methyl-1H-pyrazole-4-carbonyl)-4-p-anisyl-isonipecotic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-4-28-20(26)21(13-16-5-7-17(27-3)8-6-16)9-11-24(12-10-21)19(25)18-14-22-23-15(18)2/h5-8,14H,4,9-13H2,1-3H3,(H,22,23)