2-[5-[[(3-methylphenyl)carbonyl-(3-phenoxyphenyl)amino]methyl]-2-phenylmethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[[(3-methylphenyl)carbonyl-(3-phenoxyphenyl)amino]methyl]-2-phenylmethoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-benzyloxy-5-[(N-(3-methylbenzoyl)-3-phenoxy-anilino)methyl]phenoxy]acetic acid CAS Name: 2-[5-[(N-[(3-methylphenyl)-oxomethyl]-3-phenoxyanilino)methyl]-2-phenylmethoxyphenoxy]acetic acid IUPAC Name: 2-[5-[(N-(3-methylbenzoyl)-3-phenoxyanilino)methyl]-2-phenylmethoxyphenoxy]acetic acid Traditional Name: 2-[2-benzoxy-5-[(N-m-toluoyl-3-phenoxy-anilino)methyl]phenoxy]acetic acid Formula: C36H31NO6 MolecularWeight: 573.63444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC(=O)O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC(=O)O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C36H31NO6/c1-26-10-8-13-29(20-26)36(40)37(30-14-9-17-32(22-30)43-31-15-6-3-7-16-31)23-28-18-19-33(34(21-28)42-25-35(38)39)41-24-27-11-4-2-5-12-27/h2-22H,23-25H2,1H3,(H,38,39)