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

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)carbonyl-(4-fluorophenyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(N-(4-tert-butylbenzoyl)-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(N-[(4-tert-butylphenyl)-oxomethyl]-4-fluoroanilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(N-(4-tert-butylbenzoyl)-4-fluoroanilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(N-(4-tert-butylbenzoyl)-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H31FN2O3/c1-7-33-26(32)24-17(2)23(18(3)29-24)16-30(22-14-12-21(28)13-15-22)25(31)19-8-10-20(11-9-19)27(4,5)6/h8-15,29H,7,16H2,1-6H3