5-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide

Systemtic Name: 5-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide Openeye Name: 5-(2,4-dihydroxy-5-isopropyl-phenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide CAS Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1-[4-(1-pyrrolidinylmethyl)phenyl]-2-pyrrolecarboxamide IUPAC Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide Traditional Name: 5-(2,4-dihydroxy-5-isopropyl-phenyl)-1-[4-(pyrrolidinomethyl)phenyl]pyrrole-2-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)C2=CC=C(N2C3=CC=C(C=C3)CN4CCCC4)C(=O)N)O)O

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)C2=CC=C(N2C3=CC=C(C=C3)CN4CCCC4)C(=O)N)O)O

InChI

InChI=1S/C25H29N3O3/c1-16(2)19-13-20(24(30)14-23(19)29)21-9-10-22(25(26)31)28(21)18-7-5-17(6-8-18)15-27-11-3-4-12-27/h5-10,13-14,16,29-30H,3-4,11-12,15H2,1-2H3,(H2,26,31)