4-[methyl(octadecyl)amino]-3-[(1-oxidanylnaphthalen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[methyl(octadecyl)amino]-3-[(1-oxidanylnaphthalen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid CAS Name: 3-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]amino]-4-[methyl(octadecyl)amino]benzoic acid IUPAC Name: 3-[(1-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid Traditional Name: 3-[(1-hydroxy-2-naphthoyl)amino]-4-[methyl(stearyl)amino]benzoic acid Formula: C37H52N2O4 MolecularWeight: 588.81978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H52N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-39(2)34-26-24-30(37(42)43)28-33(34)38-36(41)32-25-23-29-21-18-19-22-31(29)35(32)40/h18-19,21-26,28,40H,3-17,20,27H2,1-2H3,(H,38,41)(H,42,43)