[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[4-(4-tert-amylphenoxy)anilino]-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CN3C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CN3C

InChI

InChI=1S/C25H28N2O4/c1-5-25(2,3)18-8-12-20(13-9-18)31-21-14-10-19(11-15-21)26-23(28)17-30-24(29)22-7-6-16-27(22)4/h6-16H,5,17H2,1-4H3,(H,26,28)