5-[(4-methoxy-1-oxidanyl-naphthalen-2-yl)carbonyl-octadecyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-methoxy-1-oxidanyl-naphthalen-2-yl)carbonyl-octadecyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(1-hydroxy-4-methoxy-naphthalene-2-carbonyl)-octadecyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(1-hydroxy-4-methoxy-2-naphthalenyl)-oxomethyl]-octadecylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(1-hydroxy-4-methoxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(1-hydroxy-4-methoxy-2-naphthoyl)-stearyl-amino]isophthalic acid Formula: C38H51NO7 MolecularWeight: 633.81404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)OC)O

InChI

InChI=1S/C38H51NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-39(30-25-28(37(42)43)24-29(26-30)38(44)45)36(41)33-27-34(46-2)31-21-18-19-22-32(31)35(33)40/h18-19,21-22,24-27,40H,3-17,20,23H2,1-2H3,(H,42,43)(H,44,45)