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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(C)N2C=NC=N2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H](C)N2C=NC=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-3-28-20(27)21(10-9-18-7-5-4-6-8-18)11-13-24(14-12-21)19(26)17(2)25-16-22-15-23-25/h4-8,15-17H,3,9-14H2,1-2H3/t17-/m0/s1