2-(5-cyanopentylcarbamoyl)-3,4-bis(5-cyanopentylcarbamoyloxy)-5-oxidanyl-benzoic acid

Systemtic Name: 2-(5-cyanopentylcarbamoyl)-3,4-bis(5-cyanopentylcarbamoyloxy)-5-oxidanyl-benzoic acid Openeye Name: 2-(5-cyanopentylcarbamoyl)-3,4-bis(5-cyanopentylcarbamoyloxy)-5-hydroxy-benzoic acid CAS Name: 3,4-bis[(5-cyanopentylamino)-oxomethoxy]-2-[(5-cyanopentylamino)-oxomethyl]-5-hydroxybenzoic acid IUPAC Name: 2-(5-cyanopentylcarbamoyl)-3,4-bis(5-cyanopentylcarbamoyloxy)-5-hydroxybenzoic acid Traditional Name: 2-(5-cyanopentylcarbamoyl)-3,4-bis(5-cyanopentylcarbamoyloxy)-5-hydroxy-benzoic acid Formula: C28H36N6O8 MolecularWeight: 584.62084

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)OC(=O)NCCCCCC#N)OC(=O)NCCCCCC#N)C(=O)NCCCCCC#N)C(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1O)OC(=O)NCCCCCC#N)OC(=O)NCCCCCC#N)C(=O)NCCCCCC#N)C(=O)O

InChI

InChI=1S/C28H36N6O8/c29-13-7-1-4-10-16-32-25(36)22-20(26(37)38)19-21(35)23(41-27(39)33-17-11-5-2-8-14-30)24(22)42-28(40)34-18-12-6-3-9-15-31/h19,35H,1-12,16-18H2,(H,32,36)(H,33,39)(H,34,40)(H,37,38)