[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1R)-1-(4-chlorophenyl)-3-oxidanylidene-1H-isoindole-2-carboxylate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1R)-1-(4-chlorophenyl)-3-oxidanylidene-1H-isoindole-2-carboxylate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (1R)-1-(4-chlorophenyl)-3-oxo-isoindoline-2-carboxylate CAS Name: (1R)-1-(4-chlorophenyl)-3-oxo-1H-isoindole-2-carboxylic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1R)-1-(4-chlorophenyl)-3-oxo-1H-isoindole-2-carboxylate Traditional Name: (1R)-1-(4-chlorophenyl)-3-keto-isoindoline-2-carboxylic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2C(C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)N2[C@@H](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C(C)C

InChI

InChI=1S/C25H28ClNO3/c1-15(2)19-13-8-16(3)14-22(19)30-25(29)27-23(17-9-11-18(26)12-10-17)20-6-4-5-7-21(20)24(27)28/h4-7,9-12,15-16,19,22-23H,8,13-14H2,1-3H3/t16-,19-,22+,23+/m0/s1