3-[(4-aminophenyl)carbonylamino]-5-[[4-(hexadecylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[(4-aminophenyl)carbonylamino]-5-[[4-(hexadecylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(hexadecylamino)benzoyl]amino]benzoic acid CAS Name: 3-[[(4-aminophenyl)-oxomethyl]amino]-5-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(hexadecylamino)benzoyl]amino]benzoic acid Traditional Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(cetylamino)benzoyl]amino]benzoic acid Formula: C37H50N4O4 MolecularWeight: 614.8173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)N)C(=O)O

InChI

InChI=1S/C37H50N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-39-32-22-18-29(19-23-32)36(43)41-34-26-30(37(44)45)25-33(27-34)40-35(42)28-16-20-31(38)21-17-28/h16-23,25-27,39H,2-15,24,38H2,1H3,(H,40,42)(H,41,43)(H,44,45)