2-[[2-azaniumyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoate

Systemtic Name: 2-[[2-azaniumyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoate Openeye Name: 2-[[2-azaniumyl-3-(4-benzyloxyphenyl)propanoyl]amino]propanoate CAS Name: 2-[[2-ammonio-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]propanoate IUPAC Name: 2-[[2-azaniumyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoate Traditional Name: 2-[[2-ammonio-3-(4-benzoxyphenyl)propanoyl]amino]propionate Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C(=O)[O-])NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C19H22N2O4/c1-13(19(23)24)21-18(22)17(20)11-14-7-9-16(10-8-14)25-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)(H,23,24)