[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCC(C)C

InChI

InChI=1S/C27H33N3O6/c1-7-34-23-15-20(13-14-22(23)35-16-17(2)3)27(33)36-19(5)25(31)28-24-18(4)29(6)30(26(24)32)21-11-9-8-10-12-21/h8-15,17,19H,7,16H2,1-6H3,(H,28,31)