[2-[carboxy(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoyl]-methyl-phenyl-propyl-azanium

Systemtic Name: [2-[carboxy(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoyl]-methyl-phenyl-propyl-azanium Openeye Name: [3-(4-benzyloxyphenyl)-2-[carboxy(methyl)amino]propanoyl]-methyl-phenyl-propyl-ammonium CAS Name: [2-[carboxy(methyl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]-methyl-phenyl-propylammonium IUPAC Name: [2-[carboxy(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoyl]-methyl-phenyl-propylazanium Traditional Name: [3-(4-benzoxyphenyl)-2-[carboxy(methyl)amino]propanoyl]-methyl-phenyl-propyl-ammonium Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C1=CC=CC=C1)C(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N(C)C(=O)O

Isomeric SMILES

CCC[N+](C)(C1=CC=CC=C1)C(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N(C)C(=O)O

InChI

InChI=1S/C28H32N2O4/c1-4-19-30(3,24-13-9-6-10-14-24)27(31)26(29(2)28(32)33)20-22-15-17-25(18-16-22)34-21-23-11-7-5-8-12-23/h5-18,26H,4,19-21H2,1-3H3/p+1