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

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-oxidanyl-2-phenyl-butanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-(2-hydroxy-2-phenyl-butanoyl)pyrrolidine-2-carboxamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxy-1-oxo-2-phenylbutyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxy-2-phenylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-1-(2-hydroxy-2-phenyl-butanoyl)pyrrolidine-2-carboxamide Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)CN)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)CN)O

InChI

InChI=1S/C23H28ClN3O3/c1-2-23(30,18-7-4-3-5-8-18)22(29)27-12-6-9-20(27)21(28)26-15-17-13-19(24)11-10-16(17)14-25/h3-5,7-8,10-11,13,20,30H,2,6,9,12,14-15,25H2,1H3,(H,26,28)