3-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzoic acid

Systemtic Name: 3-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzoic acid Openeye Name: 3-[(1-hydroxynaphthalene-2-carbonyl)-octadecyl-amino]benzoic acid CAS Name: 3-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]-octadecylamino]benzoic acid IUPAC Name: 3-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzoic acid Traditional Name: 3-[(1-hydroxy-2-naphthoyl)-stearyl-amino]benzoic acid Formula: C36H49NO4 MolecularWeight: 559.77856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-37(31-23-20-22-30(28-31)36(40)41)35(39)33-26-25-29-21-17-18-24-32(29)34(33)38/h17-18,20-26,28,38H,2-16,19,27H2,1H3,(H,40,41)