ethyl (3R)-3-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate CAS Name: (3R)-1-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3R)-3-phenethyl-1-[3-(1,2,4-triazol-1-yl)propanoyl]nipecotic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=NC=N2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCN2C=NC=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-2-28-20(27)21(12-9-18-7-4-3-5-8-18)11-6-13-24(15-21)19(26)10-14-25-17-22-16-23-25/h3-5,7-8,16-17H,2,6,9-15H2,1H3/t21-/m0/s1