[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-19(2)22-11-8-20(9-12-22)14-15-26-24(29)18-31-25(30)13-10-21-16-27-28(17-21)23-6-4-3-5-7-23/h3-9,11-12,16-17,19H,10,13-15,18H2,1-2H3,(H,26,29)