ethyl (2R)-1-[2-[4-(3-phenoxypropanoylamino)pyrazol-1-yl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[4-(3-phenoxypropanoylamino)pyrazol-1-yl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[4-(3-phenoxypropanoylamino)pyrazol-1-yl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[4-[(1-oxo-3-phenoxypropyl)amino]-1-pyrazolyl]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[4-(3-phenoxypropanoylamino)pyrazol-1-yl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[4-(3-phenoxypropanoylamino)pyrazol-1-yl]acetyl]pipecolinic acid ethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5/c1-2-30-22(29)19-10-6-7-12-26(19)21(28)16-25-15-17(14-23-25)24-20(27)11-13-31-18-8-4-3-5-9-18/h3-5,8-9,14-15,19H,2,6-7,10-13,16H2,1H3,(H,24,27)/t19-/m1/s1