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

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]isonipecotic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=NC=N2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=NC=N2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-2-28-20(27)21(11-15-29-18-6-4-3-5-7-18)9-13-24(14-10-21)19(26)8-12-25-17-22-16-23-25/h3-7,16-17H,2,8-15H2,1H3