3-[(4-aminophenyl)carbonylamino]-5-[[4-(dodecylamino)phenyl]carbonylamino]benzoate

Systemtic Name: 3-[(4-aminophenyl)carbonylamino]-5-[[4-(dodecylamino)phenyl]carbonylamino]benzoate Openeye Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(dodecylamino)benzoyl]amino]benzoate CAS Name: 3-[[(4-aminophenyl)-oxomethyl]amino]-5-[[[4-(dodecylamino)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(dodecylamino)benzoyl]amino]benzoate Traditional Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(laurylamino)benzoyl]amino]benzoate Formula: C33H41N4O4- MolecularWeight: 557.70304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)N)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)N)C(=O)[O-]

InChI

InChI=1S/C33H42N4O4/c1-2-3-4-5-6-7-8-9-10-11-20-35-28-18-14-25(15-19-28)32(39)37-30-22-26(33(40)41)21-29(23-30)36-31(38)24-12-16-27(34)17-13-24/h12-19,21-23,35H,2-11,20,34H2,1H3,(H,36,38)(H,37,39)(H,40,41)/p-1