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

Systemtic Name: ethyl 3-(3-phenylpropyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 3-(3-phenylpropyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-4-(1,2,4-triazol-1-yl)butyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-phenylpropyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-3-carboxylate Traditional Name: 3-(3-phenylpropyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]nipecotic acid ethyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCCN2C=NC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCCN2C=NC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O3/c1-2-30-22(29)23(13-6-11-20-9-4-3-5-10-20)14-8-15-26(17-23)21(28)12-7-16-27-19-24-18-25-27/h3-5,9-10,18-19H,2,6-8,11-17H2,1H3