methyl 3-oxidanylidene-5-[(5S)-2,6,6-trimethyl-5-phenylmethoxy-cyclohexen-1-yl]pentanoate

Systemtic Name: methyl 3-oxidanylidene-5-[(5S)-2,6,6-trimethyl-5-phenylmethoxy-cyclohexen-1-yl]pentanoate Openeye Name: methyl 5-[(5S)-5-benzyloxy-2,6,6-trimethyl-cyclohexen-1-yl]-3-oxo-pentanoate CAS Name: 3-oxo-5-[(5S)-2,6,6-trimethyl-5-phenylmethoxy-1-cyclohexenyl]pentanoic acid methyl ester IUPAC Name: methyl 3-oxo-5-[(5S)-2,6,6-trimethyl-5-phenylmethoxycyclohexen-1-yl]pentanoate Traditional Name: 5-[(5S)-5-benzoxy-2,6,6-trimethyl-cyclohexen-1-yl]-3-keto-valeric acid methyl ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)OCC2=CC=CC=C2)(C)C)CCC(=O)CC(=O)OC

Isomeric SMILES

CC1=C(C([C@H](CC1)OCC2=CC=CC=C2)(C)C)CCC(=O)CC(=O)OC

InChI

InChI=1S/C22H30O4/c1-16-10-13-20(26-15-17-8-6-5-7-9-17)22(2,3)19(16)12-11-18(23)14-21(24)25-4/h5-9,20H,10-15H2,1-4H3/t20-/m0/s1