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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCCN2C=NC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCCN2C=NC=N2)CCCC3=CC=CC=C3

InChI

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