[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl] ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C)OCC

InChI

InChI=1S/C27H33N3O5/c1-6-8-15-34-23-14-11-21(16-24(23)33-7-2)27(32)35-17-25(31)28-26-19(4)29-30(20(26)5)22-12-9-18(3)10-13-22/h9-14,16H,6-8,15,17H2,1-5H3,(H,28,31)