4-[[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[3-[(1Z)-1-(1-oxononylhydrazinylidene)ethyl]anilino]butanoate IUPAC Name: 4-[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[3-[(Z)-C-methyl-N-(pelargonylamino)carbonimidoyl]anilino]butyrate Formula: C21H30N3O4- MolecularWeight: 388.4806

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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)/p-1/b23-16-