(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexane-1-carbaldehyde

Systemtic Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexane-1-carbaldehyde Openeye Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexanecarbaldehyde CAS Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-1-cyclohexanecarboxaldehyde IUPAC Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethylcyclohexane-1-carbaldehyde Traditional Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexanecarbaldehyde Formula: C23H28O2 MolecularWeight: 336.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C=O

Isomeric SMILES

C[C@@]1(CCC[C@@H]([C@H]1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C=O

InChI

InChI=1S/C23H28O2/c1-23(17-24)16-6-9-21(19-11-13-20(25-2)14-12-19)22(23)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-14,17,21-22H,6,9-10,15-16H2,1-2H3/t21-,22-,23-/m1/s1