carboxy-[(3,4-dichlorophenyl)methylamino]-ethyl-[6-(methoxymethoxymethyl)-4-oxidanylidene-3-phenylmethoxy-pyran-2-yl]carbonyl-azanium

Systemtic Name: carboxy-[(3,4-dichlorophenyl)methylamino]-ethyl-[6-(methoxymethoxymethyl)-4-oxidanylidene-3-phenylmethoxy-pyran-2-yl]carbonyl-azanium Openeye Name: [3-benzyloxy-6-(methoxymethoxymethyl)-4-oxo-pyran-2-carbonyl]-carboxy-[(3,4-dichlorophenyl)methylamino]-ethyl-ammonium CAS Name: carboxy-[(3,4-dichlorophenyl)methylamino]-ethyl-[[6-(methoxymethoxymethyl)-4-oxo-3-phenylmethoxy-2-pyranyl]-oxomethyl]ammonium IUPAC Name: carboxy-[(3,4-dichlorophenyl)methylamino]-ethyl-[6-(methoxymethoxymethyl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]azanium Traditional Name: [3-benzoxy-4-keto-6-(methoxymethoxymethyl)pyran-2-carbonyl]-carboxy-[(3,4-dichlorobenzyl)amino]-ethyl-ammonium Formula: C26H27Cl2N2O8+ MolecularWeight: 566.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C(=O)C1=C(C(=O)C=C(O1)COCOC)OCC2=CC=CC=C2)(C(=O)O)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC[N+](C(=O)C1=C(C(=O)C=C(O1)COCOC)OCC2=CC=CC=C2)(C(=O)O)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H26Cl2N2O8/c1-3-30(26(33)34,29-13-18-9-10-20(27)21(28)11-18)25(32)24-23(37-14-17-7-5-4-6-8-17)22(31)12-19(38-24)15-36-16-35-2/h4-12,29H,3,13-16H2,1-2H3/p+1