ethyl (3S)-1-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[1-(3-phenylpropyl)-4-triazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]nipecotic acid ethyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-2-27-20(26)17-11-7-12-23(14-17)19(25)18-15-24(22-21-18)13-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17H,2,6-7,10-14H2,1H3/t17-/m0/s1