4-[[(E)-dodec-2-enyl]-(1H-1,2,4-triazol-5-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(E)-dodec-2-enyl]-(1H-1,2,4-triazol-5-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(E)-dodec-2-enyl]-(1H-1,2,4-triazol-5-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[(E)-dodec-2-enyl]-(1H-1,2,4-triazol-5-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[(E)-dodec-2-enyl]-(1H-1,2,4-triazol-5-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[(E)-dodec-2-enyl]-(1H-1,2,4-triazol-5-yl)amino]-4-keto-butyric acid Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCN(C1=NC=NN1)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/CN(C1=NC=NN1)C(=O)CCC(=O)O

InChI

InChI=1S/C18H30N4O3/c1-2-3-4-5-6-7-8-9-10-11-14-22(18-19-15-20-21-18)16(23)12-13-17(24)25/h10-11,15H,2-9,12-14H2,1H3,(H,24,25)(H,19,20,21)/b11-10+