methyl 3-[3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate

Systemtic Name: methyl 3-[3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Openeye Name: methyl 3-[3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoate CAS Name: 3-[3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Traditional Name: 3-[3-keto-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propionic acid methyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CN(C(=O)N1CCC2CCNCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1CN(C(=O)N1CCC2CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N4O3/c1-26-18(24)10-13-21-15-22(17-5-3-2-4-6-17)19(25)23(21)14-9-16-7-11-20-12-8-16/h2-6,16,20H,7-15H2,1H3