ethyl (1S,2S)-4-oxidanylidene-2-[(Z)-5-phenylmethoxypent-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-4-oxidanylidene-2-[(Z)-5-phenylmethoxypent-3-enyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[(Z)-5-benzyloxypent-3-enyl]-4-oxo-cyclohexanecarboxylate CAS Name: (1S,2S)-4-oxo-2-[(Z)-5-phenylmethoxypent-3-enyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-4-oxo-2-[(Z)-5-phenylmethoxypent-3-enyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(Z)-5-benzoxypent-3-enyl]-4-keto-cyclohexanecarboxylic acid ethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)CC1CCC=CCOCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC(=O)C[C@@H]1CC/C=C\COCC2=CC=CC=C2

InChI

InChI=1S/C21H28O4/c1-2-25-21(23)20-13-12-19(22)15-18(20)11-7-4-8-14-24-16-17-9-5-3-6-10-17/h3-6,8-10,18,20H,2,7,11-16H2,1H3/b8-4-/t18-,20-/m0/s1