4-[[6-[(4-carboxylatophenyl)methylcarbamoylamino]hexylcarbamoylamino]methyl]benzoate

Systemtic Name: 4-[[6-[(4-carboxylatophenyl)methylcarbamoylamino]hexylcarbamoylamino]methyl]benzoate Openeye Name: 4-[[6-[(4-carboxylatophenyl)methylcarbamoylamino]hexylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[[6-[[[(4-carboxylatophenyl)methylamino]-oxomethyl]amino]hexylamino]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[6-[(4-carboxylatophenyl)methylcarbamoylamino]hexylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[6-[(4-carboxylatobenzyl)carbamoylamino]hexylcarbamoylamino]methyl]benzoate Formula: C24H28N4O6-2 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NCCCCCCNC(=O)NCC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)NCCCCCCNC(=O)NCC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H30N4O6/c29-21(30)19-9-5-17(6-10-19)15-27-23(33)25-13-3-1-2-4-14-26-24(34)28-16-18-7-11-20(12-8-18)22(31)32/h5-12H,1-4,13-16H2,(H,29,30)(H,31,32)(H2,25,27,33)(H2,26,28,34)/p-2