[2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]methyl-phenethylammonium IUPAC Name: [2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]methyl-phenethylazanium Traditional Name: [2-[2-(4-carbethoxyanilino)-2-keto-ethoxy]benzyl]-phenethyl-ammonium Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O4/c1-2-31-26(30)21-12-14-23(15-13-21)28-25(29)19-32-24-11-7-6-10-22(24)18-27-17-16-20-8-4-3-5-9-20/h3-15,27H,2,16-19H2,1H3,(H,28,29)/p+1