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

Systemtic Name: 3-[(4-aminophenyl)carbonylamino]-5-[[4-(hexylamino)phenyl]carbonylamino]benzoate Openeye Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(hexylamino)benzoyl]amino]benzoate CAS Name: 3-[[(4-aminophenyl)-oxomethyl]amino]-5-[[[4-(hexylamino)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(hexylamino)benzoyl]amino]benzoate Traditional Name: 3-[(4-aminobenzoyl)amino]-5-[[4-(hexylamino)benzoyl]amino]benzoate Formula: C27H29N4O4- MolecularWeight: 473.54356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)N)C(=O)[O-]

Isomeric SMILES

CCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)N)C(=O)[O-]

InChI

InChI=1S/C27H30N4O4/c1-2-3-4-5-14-29-22-12-8-19(9-13-22)26(33)31-24-16-20(27(34)35)15-23(17-24)30-25(32)18-6-10-21(28)11-7-18/h6-13,15-17,29H,2-5,14,28H2,1H3,(H,30,32)(H,31,33)(H,34,35)/p-1