methyl (1S,2S,3Z)-2-hexyl-3-(2-phenylethanoylhydrazinylidene)cyclopentane-1-carboxylate

Systemtic Name: methyl (1S,2S,3Z)-2-hexyl-3-(2-phenylethanoylhydrazinylidene)cyclopentane-1-carboxylate Openeye Name: methyl (1S,2S,3Z)-2-hexyl-3-[(2-phenylacetyl)hydrazono]cyclopentanecarboxylate CAS Name: (1S,2S,3Z)-2-hexyl-3-[(1-oxo-2-phenylethyl)hydrazinylidene]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3Z)-2-hexyl-3-[(2-phenylacetyl)hydrazinylidene]cyclopentane-1-carboxylate Traditional Name: (1S,2S,3Z)-2-hexyl-3-[(2-phenylacetyl)hydrazono]cyclopentanecarboxylic acid methyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(CCC1=NNC(=O)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCC[C@H]\1[C@H](CC/C1=N/NC(=O)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H30N2O3/c1-3-4-5-9-12-17-18(21(25)26-2)13-14-19(17)22-23-20(24)15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,3-5,9,12-15H2,1-2H3,(H,23,24)/b22-19-/t17-,18-/m0/s1