5-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-oxo-5-[3-[(1E)-1-(1-oxononylhydrazinylidene)ethyl]anilino]pentanoic acid IUPAC Name: 5-[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[3-[(E)-C-methyl-N-(pelargonylamino)carbonimidoyl]anilino]valeric acid Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NN=C(C)C1=CC(=CC=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCC(=O)N/N=C(\C)/C1=CC(=CC=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C22H33N3O4/c1-3-4-5-6-7-8-13-21(27)25-24-17(2)18-11-9-12-19(16-18)23-20(26)14-10-15-22(28)29/h9,11-12,16H,3-8,10,13-15H2,1-2H3,(H,23,26)(H,25,27)(H,28,29)/b24-17+