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

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C21H27N3O4/c1-14-18(15(2)24(4)23-14)10-11-21(27)28-13-20(26)22-19(16(3)25)12-17-8-6-5-7-9-17/h5-9,19H,10-13H2,1-4H3,(H,22,26)