ethyl 1-(2-methylpyrazol-3-yl)carbonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-methylpyrazol-3-yl)carbonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methylpyrazole-3-carbonyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(2-methyl-3-pyrazolyl)-oxomethyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpyrazole-3-carbonyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-(2-methylpyrazole-3-carbonyl)-4-(2-phenoxyethyl)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=CC=NN2C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=NN2C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-3-27-20(26)21(12-16-28-17-7-5-4-6-8-17)10-14-24(15-11-21)19(25)18-9-13-22-23(18)2/h4-9,13H,3,10-12,14-16H2,1-2H3