5-[ethanoyl-[3-(octadecylamino)phenyl]carbonyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[ethanoyl-[3-(octadecylamino)phenyl]carbonyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[acetyl-[3-(octadecylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[acetyl-[[3-(octadecylamino)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[acetyl-[3-(octadecylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[acetyl-[3-(stearylamino)benzoyl]amino]isophthalic acid Formula: C35H50N2O6 MolecularWeight: 594.7813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=CC(=C1)C(=O)N(C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=CC(=C1)C(=O)N(C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)C

InChI

InChI=1S/C35H50N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-31-21-19-20-28(24-31)33(39)37(27(2)38)32-25-29(34(40)41)23-30(26-32)35(42)43/h19-21,23-26,36H,3-18,22H2,1-2H3,(H,40,41)(H,42,43)