3-[5-[2-(heptadecan-8-ylcarbamoyl)hydrazinyl]-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 3-[5-[2-(heptadecan-8-ylcarbamoyl)hydrazinyl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 3-[5-[2-(1-heptyldecylcarbamoyl)hydrazino]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 3-[5-[[(heptadecan-8-ylamino)-oxomethyl]hydrazo]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 3-[5-[2-(heptadecan-8-ylcarbamoyl)hydrazinyl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 3-[5-[N'-(1-heptyldecylcarbamoyl)hydrazino]-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C27H43N5O4 MolecularWeight: 501.66142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)NC(=O)NNC1=NC(=NO1)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCC)NC(=O)NNC1=NC(=NO1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C27H43N5O4/c1-3-5-7-9-10-12-14-19-23(18-13-11-8-6-4-2)28-26(35)30-31-27-29-24(32-36-27)21-16-15-17-22(20-21)25(33)34/h15-17,20,23H,3-14,18-19H2,1-2H3,(H,33,34)(H2,28,30,35)(H,29,31,32)