6-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[3-[(1E)-1-(1-oxononylhydrazinylidene)ethyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[(E)-C-methyl-N-(pelargonylamino)carbonimidoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NN=C(C)C1=CC(=CC=C1)NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCCCCCCCC(=O)N/N=C(\C)/C1=CC(=CC=C1)NC(=O)C2CC=CCC2C(=O)O

InChI

InChI=1S/C25H35N3O4/c1-3-4-5-6-7-8-16-23(29)28-27-18(2)19-12-11-13-20(17-19)26-24(30)21-14-9-10-15-22(21)25(31)32/h9-13,17,21-22H,3-8,14-16H2,1-2H3,(H,26,30)(H,28,29)(H,31,32)/b27-18+