ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[1-oxo-3-(1H-pyrazol-4-yl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-[3-(1H-pyrazol-4-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=CNN=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCC2=CNN=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29N3O4/c1-3-29-21(27)22(13-17-6-4-7-19(12-17)28-2)10-5-11-25(16-22)20(26)9-8-18-14-23-24-15-18/h4,6-7,12,14-15H,3,5,8-11,13,16H2,1-2H3,(H,23,24)/t22-/m0/s1