N-[(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-2-tert-butyl-quinoline-6-carboxamide

Systemtic Name: N-[(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-2-tert-butyl-quinoline-6-carboxamide Openeye Name: N-[(2-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-2-tert-butyl-quinoline-6-carboxamide CAS Name: N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]-2-tert-butyl-6-quinolinecarboxamide IUPAC Name: N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]-2-tert-butylquinoline-6-carboxamide Traditional Name: N-(2-bromo-4-hydroxy-5-methoxy-benzyl)-2-tert-butyl-quinoline-6-carboxamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C1)C=C(C=C2)C(=O)NCC3=CC(=C(C=C3Br)O)OC

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C1)C=C(C=C2)C(=O)NCC3=CC(=C(C=C3Br)O)OC

InChI

InChI=1S/C22H23BrN2O3/c1-22(2,3)20-8-6-13-9-14(5-7-17(13)25-20)21(27)24-12-15-10-19(28-4)18(26)11-16(15)23/h5-11,26H,12H2,1-4H3,(H,24,27)