[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c26-21(23-13-14-28-20-9-5-2-6-10-20)17-29-22(27)12-11-18-15-24-25(16-18)19-7-3-1-4-8-19/h1-10,15-16H,11-14,17H2,(H,23,26)