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

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[3-(1-methyl-4-pyrazolyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1-methylpyrazol-4-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)CCC2=CN(N=C2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=CN(N=C2)C)CC3=CC=C(C=C3)OC

InChI

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