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

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 4-pentoxybenzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C26H31N3O5/c1-5-6-10-17-33-22-15-13-20(14-16-22)26(32)34-19(3)24(30)27-23-18(2)28(4)29(25(23)31)21-11-8-7-9-12-21/h7-9,11-16,19H,5-6,10,17H2,1-4H3,(H,27,30)