methyl (3E,6R,8Z,10E)-6-cyano-4-methanoyl-3,12,12-trimethyl-13-oxidanylidene-cyclotrideca-3,8,10-triene-1-carboxylate

Systemtic Name: methyl (3E,6R,8Z,10E)-6-cyano-4-methanoyl-3,12,12-trimethyl-13-oxidanylidene-cyclotrideca-3,8,10-triene-1-carboxylate Openeye Name: methyl (3E,6R,8Z,10E)-6-cyano-4-formyl-3,12,12-trimethyl-13-oxo-cyclotrideca-3,8,10-triene-1-carboxylate CAS Name: (3E,6R,8Z,10E)-6-cyano-4-formyl-3,12,12-trimethyl-13-oxo-1-cyclotrideca-3,8,10-trienecarboxylic acid methyl ester IUPAC Name: methyl (3E,6R,8Z,10E)-6-cyano-4-formyl-3,12,12-trimethyl-13-oxocyclotrideca-3,8,10-triene-1-carboxylate Traditional Name: (3E,6R,8Z,10E)-6-cyano-4-formyl-13-keto-3,12,12-trimethyl-cyclotrideca-3,8,10-triene-1-carboxylic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC=CC=CC(C(=O)C(C1)C(=O)OC)(C)C)C#N)C=O

Isomeric SMILES

C/C/1=C(/C[C@@H](C/C=C\C=C\C(C(=O)C(C1)C(=O)OC)(C)C)C#N)\C=O

InChI

InChI=1S/C20H25NO4/c1-14-10-17(19(24)25-4)18(23)20(2,3)9-7-5-6-8-15(12-21)11-16(14)13-22/h5-7,9,13,15,17H,8,10-11H2,1-4H3/b6-5-,9-7+,16-14+/t15-,17?/m1/s1