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

Systemtic Name: N-[2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinoline-2-carboxamide Openeye Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinoline-2-carboxamide CAS Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-2-methylpropyl]-2-quinolinecarboxamide IUPAC Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-2-methylpropyl]quinoline-2-carboxamide Traditional Name: N-[2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-2-methyl-propyl]quinaldamide 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=NC3=CC=CC=C3C=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)(C)CNC(=O)C2=NC3=CC=CC=C3C=C2)N)C)O

InChI

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