2-[4-[3-(dipropylamino)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-[3-(dipropylamino)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[4-[2-(benzyloxycarbonylamino)-3-(dipropylamino)-3-oxo-propyl]phenoxy]ethyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[4-[3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[4-[3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[4-[2-(benzyloxycarbonylamino)-3-(dipropylamino)-3-keto-propyl]phenoxy]ethyl-diethyl-ammonium binoxalate Formula: C31H45N3O8 MolecularWeight: 587.7043

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCC[NH+](CC)CC)NC(=O)OCC2=CC=CC=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCC[NH+](CC)CC)NC(=O)OCC2=CC=CC=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H43N3O4.C2H2O4/c1-5-18-32(19-6-2)28(33)27(30-29(34)36-23-25-12-10-9-11-13-25)22-24-14-16-26(17-15-24)35-21-20-31(7-3)8-4;3-1(4)2(5)6/h9-17,27H,5-8,18-23H2,1-4H3,(H,30,34);(H,3,4)(H,5,6)