methyl (1R,5S)-5-(4-methoxyphenyl)-2-oxidanylidene-3-propyl-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,5S)-5-(4-methoxyphenyl)-2-oxidanylidene-3-propyl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,5S)-5-(4-methoxyphenyl)-2-oxo-3-propyl-cyclopentanecarboxylate CAS Name: (1R,5S)-5-(4-methoxyphenyl)-2-oxo-3-propyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-(4-methoxyphenyl)-2-oxo-3-propylcyclopentane-1-carboxylate Traditional Name: (1R,5S)-2-keto-5-(4-methoxyphenyl)-3-propyl-cyclopentanecarboxylic acid methyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(C(C1=O)C(=O)OC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC1C[C@@H]([C@H](C1=O)C(=O)OC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22O4/c1-4-5-12-10-14(15(16(12)18)17(19)21-3)11-6-8-13(20-2)9-7-11/h6-9,12,14-15H,4-5,10H2,1-3H3/t12?,14-,15-/m1/s1