(3S)-3-[(4-methoxyphenyl)methoxy]-3-[(1R,4R)-1-methyl-2-oxidanylidene-4-propan-2-yl-cyclohexyl]propanal

Systemtic Name: (3S)-3-[(4-methoxyphenyl)methoxy]-3-[(1R,4R)-1-methyl-2-oxidanylidene-4-propan-2-yl-cyclohexyl]propanal Openeye Name: (3S)-3-[(1R,4R)-4-isopropyl-1-methyl-2-oxo-cyclohexyl]-3-[(4-methoxyphenyl)methoxy]propanal CAS Name: (3S)-3-[(4-methoxyphenyl)methoxy]-3-[(1R,4R)-1-methyl-2-oxo-4-propan-2-ylcyclohexyl]propanal IUPAC Name: (3S)-3-[(4-methoxyphenyl)methoxy]-3-[(1R,4R)-1-methyl-2-oxo-4-propan-2-ylcyclohexyl]propanal Traditional Name: (3S)-3-[(1R,4R)-4-isopropyl-2-keto-1-methyl-cyclohexyl]-3-p-anisyloxy-propionaldehyde Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(=O)C1)(C)C(CC=O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H]1CC[C@](C(=O)C1)(C)[C@H](CC=O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30O4/c1-15(2)17-9-11-21(3,19(23)13-17)20(10-12-22)25-14-16-5-7-18(24-4)8-6-16/h5-8,12,15,17,20H,9-11,13-14H2,1-4H3/t17-,20+,21+/m1/s1