2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(2-pyridin-3-ylprop-2-enylamino)propan-2-yl]propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(2-pyridin-3-ylprop-2-enylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-oxo-2-[2-(3-pyridyl)allylamino]ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-[2-(3-pyridinyl)prop-2-enylamino]propan-2-yl]propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(2-pyridin-3-ylprop-2-enylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-keto-1-methyl-2-[2-(3-pyridyl)allylamino]ethyl]propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCC(=C)C2=CN=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCC(=C)C2=CN=CC=C2)N)C)O

InChI

InChI=1S/C22H28N4O3/c1-13-8-18(27)9-14(2)19(13)10-20(23)22(29)26-16(4)21(28)25-11-15(3)17-6-5-7-24-12-17/h5-9,12,16,20,27H,3,10-11,23H2,1-2,4H3,(H,25,28)(H,26,29)