ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[3-(3-methyl-1-pyrazolyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=CC(=N2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=CC(=N2)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3O4/c1-4-30-22(28)23(17-19-5-7-20(29-3)8-6-19)11-15-25(16-12-23)21(27)10-14-26-13-9-18(2)24-26/h5-9,13H,4,10-12,14-17H2,1-3H3