(3-ethoxycarbonylphenyl)-methyl-(2-phenoxyethanoylamino)-(phenylmethyl)azanium

Systemtic Name: (3-ethoxycarbonylphenyl)-methyl-(2-phenoxyethanoylamino)-(phenylmethyl)azanium Openeye Name: benzyl-(3-ethoxycarbonylphenyl)-methyl-[(2-phenoxyacetyl)amino]ammonium CAS Name: (3-ethoxycarbonylphenyl)-methyl-[(1-oxo-2-phenoxyethyl)amino]-(phenylmethyl)ammonium IUPAC Name: benzyl-(3-ethoxycarbonylphenyl)-methyl-[(2-phenoxyacetyl)amino]azanium Traditional Name: benzyl-(3-carbethoxyphenyl)-methyl-[(2-phenoxyacetyl)amino]ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)[N+](C)(CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)[N+](C)(CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c1-3-30-25(29)21-13-10-14-22(17-21)27(2,18-20-11-6-4-7-12-20)26-24(28)19-31-23-15-8-5-9-16-23/h4-17H,3,18-19H2,1-2H3/p+1