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

Systemtic Name: 2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: 2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(2-ammonio-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propionate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])[NH3+]

InChI

InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)