[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-3-phenyl-propanoate CAS Name: (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-3-phenylpropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-3-phenylpropanoate Traditional Name: (2S)-3-keto-2-p-anisyl-3-phenyl-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](CC2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H34O4/c1-18(2)23-15-10-19(3)16-25(23)31-27(29)24(26(28)21-8-6-5-7-9-21)17-20-11-13-22(30-4)14-12-20/h5-9,11-14,18-19,23-25H,10,15-17H2,1-4H3/t19-,23+,24+,25-/m1/s1