2-[(4-butylphenyl)carbonylamino]-5-[4-[(4-butylphenyl)carbonyl-methyl-amino]phenoxy]benzoic acid

Systemtic Name: 2-[(4-butylphenyl)carbonylamino]-5-[4-[(4-butylphenyl)carbonyl-methyl-amino]phenoxy]benzoic acid Openeye Name: 2-[(4-butylbenzoyl)amino]-5-[4-[(4-butylbenzoyl)-methyl-amino]phenoxy]benzoic acid CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]-5-[4-[[(4-butylphenyl)-oxomethyl]-methylamino]phenoxy]benzoic acid IUPAC Name: 2-[(4-butylbenzoyl)amino]-5-[4-[(4-butylbenzoyl)-methylamino]phenoxy]benzoic acid Traditional Name: 2-[(4-butylbenzoyl)amino]-5-[4-[(4-butylbenzoyl)-methyl-amino]phenoxy]benzoic acid Formula: C36H38N2O5 MolecularWeight: 578.69732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC3=CC=C(C=C3)N(C)C(=O)C4=CC=C(C=C4)CCCC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC3=CC=C(C=C3)N(C)C(=O)C4=CC=C(C=C4)CCCC)C(=O)O

InChI

InChI=1S/C36H38N2O5/c1-4-6-8-25-10-14-27(15-11-25)34(39)37-33-23-22-31(24-32(33)36(41)42)43-30-20-18-29(19-21-30)38(3)35(40)28-16-12-26(13-17-28)9-7-5-2/h10-24H,4-9H2,1-3H3,(H,37,39)(H,41,42)