N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(5-tert-butylisoxazol-3-yl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-(5-tert-butyl-3-isoxazolyl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(5-tert-butylisoxazol-3-yl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C(C)(C)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC(=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3O3/c1-17(2)16-32-19-10-8-9-18(13-19)23-14-21(20-11-6-7-12-22(20)28-23)26(31)29-25-15-24(33-30-25)27(3,4)5/h6-15,17H,16H2,1-5H3,(H,29,30,31)