4-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[3-[(1E)-1-(1-oxononylhydrazinylidene)ethyl]anilino]butanoic acid IUPAC Name: 4-[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-[(E)-C-methyl-N-(pelargonylamino)carbonimidoyl]anilino]butyric acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-3-4-5-6-7-8-12-20(26)24-23-16(2)17-10-9-11-18(15-17)22-19(25)13-14-21(27)28/h9-11,15H,3-8,12-14H2,1-2H3,(H,22,25)(H,24,26)(H,27,28)/b23-16+