methyl (1S,2S)-2-[2-(2,6-diethyl-4-methyl-phenyl)ethanoyl]-4-methylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-[2-(2,6-diethyl-4-methyl-phenyl)ethanoyl]-4-methylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1S,2S)-2-[2-(2,6-diethyl-4-methyl-phenyl)acetyl]-4-methylene-cyclopentanecarboxylate CAS Name: (1S,2S)-2-[2-(2,6-diethyl-4-methylphenyl)-1-oxoethyl]-4-methylene-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-[2-(2,6-diethyl-4-methylphenyl)acetyl]-4-methylidenecyclopentane-1-carboxylate Traditional Name: (1S,2S)-2-[2-(2,6-diethyl-4-methyl-phenyl)acetyl]-4-methylene-cyclopentanecarboxylic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1CC(=O)C2CC(=C)CC2C(=O)OC)CC)C

Isomeric SMILES

CCC1=CC(=CC(=C1CC(=O)[C@H]2CC(=C)C[C@@H]2C(=O)OC)CC)C

InChI

InChI=1S/C21H28O3/c1-6-15-8-13(3)9-16(7-2)17(15)12-20(22)18-10-14(4)11-19(18)21(23)24-5/h8-9,18-19H,4,6-7,10-12H2,1-3,5H3/t18-,19-/m0/s1