[1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O4/c1-15(22(28)25-19-12-17(23)9-10-20(19)29-2)30-21(27)11-8-16-13-24-26(14-16)18-6-4-3-5-7-18/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,25,28)