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

Systemtic Name: methyl (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexanecarboxylate CAS Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethylcyclohexane-1-carboxylate Traditional Name: (1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexanecarboxylic acid methyl ester Formula: C24H30O3 MolecularWeight: 366.4932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O3/c1-24(23(25)27-3)17-7-10-21(19-12-14-20(26-2)15-13-19)22(24)16-11-18-8-5-4-6-9-18/h4-6,8-9,12-15,21-22H,7,10-11,16-17H2,1-3H3/t21-,22-,24+/m1/s1