tert-butyl-carboxy-[(3,4-dichlorophenyl)methylamino]-(4-oxidanylidene-3-phenylmethoxy-pyran-2-yl)carbonyl-azanium

Systemtic Name: tert-butyl-carboxy-[(3,4-dichlorophenyl)methylamino]-(4-oxidanylidene-3-phenylmethoxy-pyran-2-yl)carbonyl-azanium Openeye Name: (3-benzyloxy-4-oxo-pyran-2-carbonyl)-tert-butyl-carboxy-[(3,4-dichlorophenyl)methylamino]ammonium CAS Name: tert-butyl-carboxy-[(3,4-dichlorophenyl)methylamino]-[oxo-(4-oxo-3-phenylmethoxy-2-pyranyl)methyl]ammonium IUPAC Name: tert-butyl-carboxy-[(3,4-dichlorophenyl)methylamino]-(4-oxo-3-phenylmethoxypyran-2-carbonyl)azanium Traditional Name: (3-benzoxy-4-keto-pyran-2-carbonyl)-tert-butyl-carboxy-[(3,4-dichlorobenzyl)amino]ammonium Formula: C25H25Cl2N2O6+ MolecularWeight: 520.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](C(=O)C1=C(C(=O)C=CO1)OCC2=CC=CC=C2)(C(=O)O)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)[N+](C(=O)C1=C(C(=O)C=CO1)OCC2=CC=CC=C2)(C(=O)O)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H24Cl2N2O6/c1-25(2,3)29(24(32)33,28-14-17-9-10-18(26)19(27)13-17)23(31)22-21(20(30)11-12-34-22)35-15-16-7-5-4-6-8-16/h4-13,28H,14-15H2,1-3H3/p+1