N-[[4-(aminomethyl)-3-oxidanyl-phenyl]methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[[4-(aminomethyl)-3-oxidanyl-phenyl]methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[[4-(aminomethyl)-3-hydroxy-phenyl]methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[[4-(aminomethyl)-3-hydroxyphenyl]methyl]-1-[2-(cyclohexylamino)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[4-(aminomethyl)-3-hydroxyphenyl]methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[4-(aminomethyl)-3-hydroxy-benzyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NCC2=CC(=C(C=C2)CN)O)NC3CCCCC3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NCC2=CC(=C(C=C2)CN)O)NC3CCCCC3

InChI

InChI=1S/C22H34N4O3/c1-15(25-18-6-3-2-4-7-18)22(29)26-11-5-8-19(26)21(28)24-14-16-9-10-17(13-23)20(27)12-16/h9-10,12,15,18-19,25,27H,2-8,11,13-14,23H2,1H3,(H,24,28)