7-[2-[(3-ethylphenyl)-oxaldehydoyl-amino]-5-phenoxy-phenoxy]heptanoic acid

Systemtic Name: 7-[2-[(3-ethylphenyl)-oxaldehydoyl-amino]-5-phenoxy-phenoxy]heptanoic acid Openeye Name: 7-[2-(3-ethyl-N-oxaldehydoyl-anilino)-5-phenoxy-phenoxy]heptanoic acid CAS Name: 7-[2-(3-ethyl-N-oxaldehydoylanilino)-5-phenoxyphenoxy]heptanoic acid IUPAC Name: 7-[2-(3-ethyl-N-oxaldehydoylanilino)-5-phenoxyphenoxy]heptanoic acid Traditional Name: 7-[2-(3-ethyl-N-glyoxyloyl-anilino)-5-phenoxy-phenoxy]enanthic acid Formula: C29H31NO6 MolecularWeight: 489.55954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C2=C(C=C(C=C2)OC3=CC=CC=C3)OCCCCCCC(=O)O)C(=O)C=O

Isomeric SMILES

CCC1=CC(=CC=C1)N(C2=C(C=C(C=C2)OC3=CC=CC=C3)OCCCCCCC(=O)O)C(=O)C=O

InChI

InChI=1S/C29H31NO6/c1-2-22-11-10-12-23(19-22)30(28(32)21-31)26-17-16-25(36-24-13-6-5-7-14-24)20-27(26)35-18-9-4-3-8-15-29(33)34/h5-7,10-14,16-17,19-21H,2-4,8-9,15,18H2,1H3,(H,33,34)