methyl 9-[(1S,5S)-2-oxidanylidene-5-phenyl-cyclopentyl]nonanoate

Systemtic Name: methyl 9-[(1S,5S)-2-oxidanylidene-5-phenyl-cyclopentyl]nonanoate Openeye Name: methyl 9-[(1S,5S)-2-oxo-5-phenyl-cyclopentyl]nonanoate CAS Name: 9-[(1S,5S)-2-oxo-5-phenylcyclopentyl]nonanoic acid methyl ester IUPAC Name: methyl 9-[(1S,5S)-2-oxo-5-phenylcyclopentyl]nonanoate Traditional Name: 9-[(1S,5S)-2-keto-5-phenyl-cyclopentyl]pelargonic acid methyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCC1C(CCC1=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCCC[C@H]1[C@H](CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30O3/c1-24-21(23)14-10-5-3-2-4-9-13-19-18(15-16-20(19)22)17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3/t18-,19+/m1/s1