tert-butyl 1,2-bis(4-chlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)pyrrole-3-carboxylate

Systemtic Name: tert-butyl 1,2-bis(4-chlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)pyrrole-3-carboxylate Openeye Name: tert-butyl 1,2-bis(4-chlorophenyl)-5-methyl-4-(1-piperidylcarbamoyl)pyrrole-3-carboxylate CAS Name: 1,2-bis(4-chlorophenyl)-5-methyl-4-[oxo-(1-piperidinylamino)methyl]-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,2-bis(4-chlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)pyrrole-3-carboxylate Traditional Name: 1,2-bis(4-chlorophenyl)-5-methyl-4-(piperidinocarbamoyl)pyrrole-3-carboxylic acid tert-butyl ester Formula: C28H31Cl2N3O3 MolecularWeight: 528.47004

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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)NN4CCCCC4

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)NN4CCCCC4

InChI

InChI=1S/C28H31Cl2N3O3/c1-18-23(26(34)31-32-16-6-5-7-17-32)24(27(35)36-28(2,3)4)25(19-8-10-20(29)11-9-19)33(18)22-14-12-21(30)13-15-22/h8-15H,5-7,16-17H2,1-4H3,(H,31,34)