4-[[4-(hexadecylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(hexadecylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(hexadecylamino)benzoyl]amino]benzoic acid CAS Name: 4-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(hexadecylamino)benzoyl]amino]benzoic acid Traditional Name: 4-[[4-(cetylamino)benzoyl]amino]benzoic acid Formula: C30H44N2O3 MolecularWeight: 480.68196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C30H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-31-27-20-16-25(17-21-27)29(33)32-28-22-18-26(19-23-28)30(34)35/h16-23,31H,2-15,24H2,1H3,(H,32,33)(H,34,35)