N-[2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinoline-3-carboxamide

Systemtic Name: N-[2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinoline-3-carboxamide Openeye Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinoline-3-carboxamide CAS Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-2-methylpropyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-2-methylpropyl]quinoline-3-carboxamide Traditional Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinoline-3-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)(C)CNC(=O)C2=CC3=CC=CC=C3N=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)(C)CNC(=O)C2=CC3=CC=CC=C3N=C2)N)C)O

InChI

InChI=1S/C25H30N4O3/c1-15-9-19(30)10-16(2)20(15)12-21(26)24(32)29-25(3,4)14-28-23(31)18-11-17-7-5-6-8-22(17)27-13-18/h5-11,13,21,30H,12,14,26H2,1-4H3,(H,28,31)(H,29,32)