methyl 2,2-dimethyl-4-oxidanylidene-5-[N-(phenylmethyl)-C-undecyl-carbonimidoyl]cyclopentane-1-carboxylate

Systemtic Name: methyl 2,2-dimethyl-4-oxidanylidene-5-[N-(phenylmethyl)-C-undecyl-carbonimidoyl]cyclopentane-1-carboxylate Openeye Name: methyl 5-(N-benzyl-C-undecyl-carbonimidoyl)-2,2-dimethyl-4-oxo-cyclopentanecarboxylate CAS Name: 2,2-dimethyl-4-oxo-5-[1-(phenylmethyl)iminododecyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 5-(N-benzyl-C-undecylcarbonimidoyl)-2,2-dimethyl-4-oxocyclopentane-1-carboxylate Traditional Name: 5-(N-benzyl-C-undecyl-carbonimidoyl)-4-keto-2,2-dimethyl-cyclopentanecarboxylic acid methyl ester Formula: C28H43NO3 MolecularWeight: 441.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=NCC1=CC=CC=C1)C2C(C(CC2=O)(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=NCC1=CC=CC=C1)C2C(C(CC2=O)(C)C)C(=O)OC

InChI

InChI=1S/C28H43NO3/c1-5-6-7-8-9-10-11-12-16-19-23(29-21-22-17-14-13-15-18-22)25-24(30)20-28(2,3)26(25)27(31)32-4/h13-15,17-18,25-26H,5-12,16,19-21H2,1-4H3