ethyl 1-[2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methoxy]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-2-32-24(30)19-10-12-27(13-11-19)22(29)17-33-25(31)20-16-28(15-18-7-4-3-5-8-18)26-23(20)21-9-6-14-34-21/h3-9,14,16,19H,2,10-13,15,17H2,1H3