2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-bromophenyl)methyl]-3-ethoxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-bromophenyl)methyl]-3-ethoxy-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-bromophenyl)methyl]-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-bromophenyl)methyl]-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-bromophenyl)methyl]-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(2-bromobenzyl)-3-ethoxy-3-phenyl-propionic acid Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(CC2=CC=CC=C2Br)(C(=O)O)N(C)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(CC2=CC=CC=C2Br)(C(=O)O)N(C)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H25BrN2O4/c1-3-32-23(18-11-5-4-6-12-18)26(24(30)31,17-19-13-7-8-14-20(19)27)29(2)25-28-21-15-9-10-16-22(21)33-25/h4-16,23H,3,17H2,1-2H3,(H,30,31)