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

Systemtic Name: 2-azanyl-3-[3,5-bis(chloranyl)-4-[[2-(phenylmethyl)-1,3-benzoxazol-4-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[(2-benzyl-1,3-benzoxazol-4-yl)methoxy]-3,5-dichloro-phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dichloro-4-[[2-(phenylmethyl)-1,3-benzoxazol-4-yl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[(2-benzyl-1,3-benzoxazol-4-yl)methoxy]-3,5-dichlorophenyl]propanoic acid Traditional Name: 2-amino-3-[4-[(2-benzyl-1,3-benzoxazol-4-yl)methoxy]-3,5-dichloro-phenyl]propionic acid Formula: C24H20Cl2N2O4 MolecularWeight: 471.3326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C=CC=C3O2)COC4=C(C=C(C=C4Cl)CC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C=CC=C3O2)COC4=C(C=C(C=C4Cl)CC(C(=O)O)N)Cl

InChI

InChI=1S/C24H20Cl2N2O4/c25-17-9-15(11-19(27)24(29)30)10-18(26)23(17)31-13-16-7-4-8-20-22(16)28-21(32-20)12-14-5-2-1-3-6-14/h1-10,19H,11-13,27H2,(H,29,30)