ethyl 3-[(2-acetyloxy-2-methyl-propanoyl)amino]-4-(3-fluorophenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[(2-acetyloxy-2-methyl-propanoyl)amino]-4-(3-fluorophenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 3-[(2-acetoxy-2-methyl-propanoyl)amino]-1-benzyl-4-(3-fluorophenyl)pyrrole-2-carboxylate CAS Name: 3-[(2-acetyloxy-2-methyl-1-oxopropyl)amino]-4-(3-fluorophenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-acetyloxy-2-methylpropanoyl)amino]-1-benzyl-4-(3-fluorophenyl)pyrrole-2-carboxylate Traditional Name: 3-[(2-acetoxy-2-methyl-propanoyl)amino]-1-benzyl-4-(3-fluorophenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C26H27FN2O5 MolecularWeight: 466.501383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C(C)(C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C(C)(C)OC(=O)C

InChI

InChI=1S/C26H27FN2O5/c1-5-33-24(31)23-22(28-25(32)26(3,4)34-17(2)30)21(19-12-9-13-20(27)14-19)16-29(23)15-18-10-7-6-8-11-18/h6-14,16H,5,15H2,1-4H3,(H,28,32)