(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-ethyl-[2-keto-2-(m-anisidino)ethyl]ammonium Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H26N2O5/c1-4-25(15-21(26)24-16-9-8-10-17(13-16)28-3)14-19-18-11-6-7-12-20(18)30-22(19)23(27)29-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,24,26)/p+1