[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H27FN2O3/c1-16-14-22(17(2)28(16)21-12-8-19(26)9-13-21)24(30)31-15-23(29)27-20-10-6-18(7-11-20)25(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)