2-azanyl-3-[3,5-bis(chloranyl)-4-[(2-phenyl-1,3-benzoxazol-7-yl)methoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-bis(chloranyl)-4-[(2-phenyl-1,3-benzoxazol-7-yl)methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dichloro-4-[(2-phenyl-1,3-benzoxazol-7-yl)methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dichloro-4-[(2-phenyl-1,3-benzoxazol-7-yl)methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dichloro-4-[(2-phenyl-1,3-benzoxazol-7-yl)methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dichloro-4-[(2-phenyl-1,3-benzoxazol-7-yl)methoxy]phenyl]propionic acid Formula: C23H18Cl2N2O4 MolecularWeight: 457.30602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC(=C3O2)COC4=C(C=C(C=C4Cl)CC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC(=C3O2)COC4=C(C=C(C=C4Cl)CC(C(=O)O)N)Cl

InChI

InChI=1S/C23H18Cl2N2O4/c24-16-9-13(11-18(26)23(28)29)10-17(25)21(16)30-12-15-7-4-8-19-20(15)31-22(27-19)14-5-2-1-3-6-14/h1-10,18H,11-12,26H2,(H,28,29)