2-[[2,6-bis(oxidanyl)-3-(2-phenoxyethanoyl)phenyl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2,6-bis(oxidanyl)-3-(2-phenoxyethanoyl)phenyl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2,6-dihydroxy-3-(2-phenoxyacetyl)phenyl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2,6-dihydroxy-3-(1-oxo-2-phenoxyethyl)phenyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2,6-dihydroxy-3-(2-phenoxyacetyl)phenyl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2,6-dihydroxy-3-(2-phenoxyacetyl)benzyl]amino]-3-phenyl-propionic acid Formula: C24H23NO6 MolecularWeight: 421.44252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC(=C2O)C(=O)COC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC(=C2O)C(=O)COC3=CC=CC=C3)O

InChI

InChI=1S/C24H23NO6/c26-21-12-11-18(22(27)15-31-17-9-5-2-6-10-17)23(28)19(21)14-25-20(24(29)30)13-16-7-3-1-4-8-16/h1-12,20,25-26,28H,13-15H2,(H,29,30)