methyl 2-[(1S,4R)-1-methyl-2-oxidanylidene-4-propan-2-yl-cyclohexyl]pent-4-enoate

Systemtic Name: methyl 2-[(1S,4R)-1-methyl-2-oxidanylidene-4-propan-2-yl-cyclohexyl]pent-4-enoate Openeye Name: methyl 2-[(1S,4R)-4-isopropyl-1-methyl-2-oxo-cyclohexyl]pent-4-enoate CAS Name: 2-[(1S,4R)-1-methyl-2-oxo-4-propan-2-ylcyclohexyl]-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[(1S,4R)-1-methyl-2-oxo-4-propan-2-ylcyclohexyl]pent-4-enoate Traditional Name: 2-[(1S,4R)-4-isopropyl-2-keto-1-methyl-cyclohexyl]pent-4-enoic acid methyl ester Formula: C16H26O3 MolecularWeight: 266.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(=O)C1)(C)C(CC=C)C(=O)OC

Isomeric SMILES

CC(C)[C@@H]1CC[C@@](C(=O)C1)(C)C(CC=C)C(=O)OC

InChI

InChI=1S/C16H26O3/c1-6-7-13(15(18)19-5)16(4)9-8-12(11(2)3)10-14(16)17/h6,11-13H,1,7-10H2,2-5H3/t12-,13?,16+/m1/s1