7-[(4-bromanyl-2-methanoyl-phenyl)-[(4-methoxyphenyl)methyl]amino]heptanoic acid

Systemtic Name: 7-[(4-bromanyl-2-methanoyl-phenyl)-[(4-methoxyphenyl)methyl]amino]heptanoic acid Openeye Name: 7-[4-bromo-2-formyl-N-[(4-methoxyphenyl)methyl]anilino]heptanoic acid CAS Name: 7-[4-bromo-2-formyl-N-[(4-methoxyphenyl)methyl]anilino]heptanoic acid IUPAC Name: 7-[4-bromo-2-formyl-N-[(4-methoxyphenyl)methyl]anilino]heptanoic acid Traditional Name: 7-(4-bromo-2-formyl-N-p-anisyl-anilino)enanthic acid Formula: C22H26BrNO4 MolecularWeight: 448.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCCCCCC(=O)O)C2=C(C=C(C=C2)Br)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCCCCCC(=O)O)C2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C22H26BrNO4/c1-28-20-10-7-17(8-11-20)15-24(13-5-3-2-4-6-22(26)27)21-12-9-19(23)14-18(21)16-25/h7-12,14,16H,2-6,13,15H2,1H3,(H,26,27)