N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-ethyl-2-oxidanyl-butanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-ethyl-2-oxidanyl-butanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-(2-ethyl-2-hydroxy-butanoyl)pyrrolidine-2-carboxamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-ethyl-2-hydroxy-1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-ethyl-2-hydroxybutanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-1-(2-ethyl-2-hydroxy-butanoyl)pyrrolidine-2-carboxamide Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)CN)O

Isomeric SMILES

CCC(CC)(C(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)CN)O

InChI

InChI=1S/C19H28ClN3O3/c1-3-19(26,4-2)18(25)23-9-5-6-16(23)17(24)22-12-14-10-15(20)8-7-13(14)11-21/h7-8,10,16,26H,3-6,9,11-12,21H2,1-2H3,(H,22,24)