4-[6-[(4-carboxylatophenyl)carbamoylamino]hexylcarbamoylamino]benzoate

Systemtic Name: 4-[6-[(4-carboxylatophenyl)carbamoylamino]hexylcarbamoylamino]benzoate Openeye Name: 4-[6-[(4-carboxylatophenyl)carbamoylamino]hexylcarbamoylamino]benzoate CAS Name: 4-[[[6-[[(4-carboxylatoanilino)-oxomethyl]amino]hexylamino]-oxomethyl]amino]benzoate IUPAC Name: 4-[6-[(4-carboxylatophenyl)carbamoylamino]hexylcarbamoylamino]benzoate Traditional Name: 4-[6-[(4-carboxylatophenyl)carbamoylamino]hexylcarbamoylamino]benzoate Formula: C22H24N4O6-2 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)NCCCCCCNC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)NCCCCCCNC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C22H26N4O6/c27-19(28)15-5-9-17(10-6-15)25-21(31)23-13-3-1-2-4-14-24-22(32)26-18-11-7-16(8-12-18)20(29)30/h5-12H,1-4,13-14H2,(H,27,28)(H,29,30)(H2,23,25,31)(H2,24,26,32)/p-2