N-[3-[[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-[[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[[2-(4-chloro-2-methyl-phenoxy)propanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]methyl]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[[2-(4-chloro-2-methylphenoxy)propanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[2-(4-chloro-2-methyl-phenoxy)propanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC2=CC(=CC=C2)NC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC2=CC(=CC=C2)NC(=O)N3CCCC3

InChI

InChI=1S/C22H26ClN3O3/c1-15-12-18(23)8-9-20(15)29-16(2)21(27)24-14-17-6-5-7-19(13-17)25-22(28)26-10-3-4-11-26/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,24,27)(H,25,28)