[5-(4-chlorophenyl)carbonyloxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [5-(4-chlorophenyl)carbonyloxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [5-(4-chlorobenzoyl)oxy-3-ethoxycarbonyl-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-[(4-chlorophenyl)-oxomethoxy]-3-ethoxycarbonyl-2-phenyl-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-(4-chlorobenzoyl)oxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-5-(4-chlorobenzoyl)oxy-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C27H25ClNO5+ MolecularWeight: 478.9441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C[NH+](C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C[NH+](C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H24ClNO5/c1-4-32-27(31)24-23-20(16-29(2)3)21(34-26(30)18-10-12-19(28)13-11-18)14-15-22(23)33-25(24)17-8-6-5-7-9-17/h5-15H,4,16H2,1-3H3/p+1