methyl 2-cyano-2-[(1-methyl-2-oxidanylidene-cyclohexyl)-phenyl-methyl]pent-4-enoate

Systemtic Name: methyl 2-cyano-2-[(1-methyl-2-oxidanylidene-cyclohexyl)-phenyl-methyl]pent-4-enoate Openeye Name: methyl 2-cyano-2-[(1-methyl-2-oxo-cyclohexyl)-phenyl-methyl]pent-4-enoate CAS Name: 2-cyano-2-[(1-methyl-2-oxocyclohexyl)-phenylmethyl]-4-pentenoic acid methyl ester IUPAC Name: methyl 2-cyano-2-[(1-methyl-2-oxocyclohexyl)-phenylmethyl]pent-4-enoate Traditional Name: 2-cyano-2-[(2-keto-1-methyl-cyclohexyl)-phenyl-methyl]pent-4-enoic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)C(C2=CC=CC=C2)C(CC=C)(C#N)C(=O)OC

Isomeric SMILES

CC1(CCCCC1=O)C(C2=CC=CC=C2)C(CC=C)(C#N)C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-4-13-21(15-22,19(24)25-3)18(16-10-6-5-7-11-16)20(2)14-9-8-12-17(20)23/h4-7,10-11,18H,1,8-9,12-14H2,2-3H3