4-[(3,4-didodecoxy-5-methyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3,4-didodecoxy-5-methyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(3,4-didodecoxy-5-methyl-benzoyl)amino]benzoic acid CAS Name: 4-[[(3,4-didodecoxy-5-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3,4-didodecoxy-5-methylbenzoyl)amino]benzoic acid Traditional Name: 4-[(3,4-dilauryloxy-5-methyl-benzoyl)amino]benzoic acid Formula: C39H61NO5 MolecularWeight: 623.90534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)C)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)C)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C39H61NO5/c1-4-6-8-10-12-14-16-18-20-22-28-44-36-31-34(38(41)40-35-26-24-33(25-27-35)39(42)43)30-32(3)37(36)45-29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-31H,4-23,28-29H2,1-3H3,(H,40,41)(H,42,43)