ethyl 4-(3-methyl-1,2,4-triazol-1-yl)-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-methyl-1,2,4-triazol-1-yl)-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-methyl-1,2,4-triazol-1-yl)piperidine-4-carboxylate CAS Name: 4-(3-methyl-1,2,4-triazol-1-yl)-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-methyl-1,2,4-triazol-1-yl)piperidine-4-carboxylate Traditional Name: 1-benzyl-4-(3-methyl-1,2,4-triazol-1-yl)isonipecotic acid ethyl ester Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N3C=NC(=N3)C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N3C=NC(=N3)C

InChI

InChI=1S/C18H24N4O2/c1-3-24-17(23)18(22-14-19-15(2)20-22)9-11-21(12-10-18)13-16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3