[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-18-22(19(2)28(3)27-18)14-15-25(30)31-17-24(29)26-16-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,23H,14-17H2,1-3H3,(H,26,29)