ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: 3-m-anisyl-1-(5-methyl-1H-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=C2)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=C2)C)CC3=CC(=CC=C3)OC

InChI

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