1,5-bis(4-chlorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrole-3-carboxylic acid

Systemtic Name: 1,5-bis(4-chlorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrole-3-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1,5-bis(4-chlorophenyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1,5-bis(4-chlorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 1,5-bis(4-chlorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrole-3-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1,5-bis(4-chlorophenyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C23H21Cl2NO4 MolecularWeight: 446.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C23H21Cl2NO4/c1-13-18(21(27)28)19(22(29)30-23(2,3)4)20(14-5-7-15(24)8-6-14)26(13)17-11-9-16(25)10-12-17/h5-12H,1-4H3,(H,27,28)