4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-3-ethoxy-benzoic acid

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-3-ethoxy-benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-3-ethoxy-benzoic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-ethoxybenzoic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-ethoxybenzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-3-ethoxy-benzoic acid Formula: C25H26BrNO4 MolecularWeight: 484.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C25H26BrNO4/c1-3-27(22-12-10-19(25(28)29)15-24(22)30-4-2)16-20-14-21(26)11-13-23(20)31-17-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3,(H,28,29)