4-(4-chloranyl-2-methyl-phenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4-(4-chloro-2-methyl-phenoxy)butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-(4-chloro-2-methyl-phenoxy)butyramide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

InChI

InChI=1S/C21H24ClN3O3/c1-3-12-23-21(27)25-18-9-7-17(8-10-18)24-20(26)5-4-13-28-19-11-6-16(22)14-15(19)2/h3,6-11,14H,1,4-5,12-13H2,2H3,(H,24,26)(H2,23,25,27)