[1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C24H33N3O4/c1-6-7-8-9-19-10-12-20(13-11-19)21(28)14-15-22(29)31-18(4)24(30)25-23-16(2)26-27(5)17(23)3/h10-13,18H,6-9,14-15H2,1-5H3,(H,25,30)