[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-tert-butylbenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)OC)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)OC)C4=C(NNC4=O)C

InChI

InChI=1S/C27H30N4O5/c1-14-21(24(32)30-28-14)23(22-15(2)29-31-25(22)33)17-9-12-19(20(13-17)35-6)36-26(34)16-7-10-18(11-8-16)27(3,4)5/h7-13,23H,1-6H3,(H2,28,30,32)(H2,29,31,33)