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

Systemtic Name: ethyl 3-(3-phenylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 3-(3-phenylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-phenylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 3-(3-phenylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=NC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=NC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3/c1-2-29-21(28)22(12-6-10-19-8-4-3-5-9-19)13-7-14-25(16-22)20(27)11-15-26-18-23-17-24-26/h3-5,8-9,17-18H,2,6-7,10-16H2,1H3