[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-dimethylaminophenyl)-2-oxidanylidene-ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-dimethylaminophenyl)-2-oxidanylidene-ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-dimethylaminophenyl)-2-oxo-acetate CAS Name: 2-(4-dimethylaminophenyl)-2-oxoacetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-dimethylaminophenyl)-2-oxoacetate Traditional Name: 2-(4-dimethylaminophenyl)-2-keto-acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=O)C2=CC=C(C=C2)N(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3/c1-13(2)17-11-6-14(3)12-18(17)24-20(23)19(22)15-7-9-16(10-8-15)21(4)5/h7-10,13-14,17-18H,6,11-12H2,1-5H3/t14-,17+,18-/m0/s1