methyl (1S,2S)-1-(3-oxidanylidenepropyl)-2-(phenylselanylmethyl)cycloheptane-1-carboxylate

Systemtic Name: methyl (1S,2S)-1-(3-oxidanylidenepropyl)-2-(phenylselanylmethyl)cycloheptane-1-carboxylate Openeye Name: methyl (1S,2S)-1-(3-oxopropyl)-2-(phenylselanylmethyl)cycloheptanecarboxylate CAS Name: (1S,2S)-1-(3-oxopropyl)-2-[(phenylseleno)methyl]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-1-(3-oxopropyl)-2-(phenylselanylmethyl)cycloheptane-1-carboxylate Traditional Name: (1S,2S)-1-(3-ketopropyl)-2-[(phenylseleno)methyl]cycloheptanecarboxylic acid methyl ester Formula: C19H26O3Se MolecularWeight: 381.36794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1C[Se]C2=CC=CC=C2)CCC=O

Isomeric SMILES

COC(=O)[C@@]1(CCCCC[C@@H]1C[Se]C2=CC=CC=C2)CCC=O

InChI

InChI=1S/C19H26O3Se/c1-22-18(21)19(13-8-14-20)12-7-3-4-9-16(19)15-23-17-10-5-2-6-11-17/h2,5-6,10-11,14,16H,3-4,7-9,12-13,15H2,1H3/t16-,19+/m1/s1