1-[2-[[1-(4-nitrooxybutoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-(4-nitrooxybutoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-(4-nitrooxybutoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-(4-nitrooxybutoxy)-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-(4-nitrooxybutoxy)-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-(4-nitrooxybutoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]proline Formula: C22H31N3O8 MolecularWeight: 465.49684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O8/c1-16(20(26)24-13-7-10-19(24)21(27)28)23-18(12-11-17-8-3-2-4-9-17)22(29)32-14-5-6-15-33-25(30)31/h2-4,8-9,16,18-19,23H,5-7,10-15H2,1H3,(H,27,28)