cyclooctyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: cyclooctyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cyclooctyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-tert-butylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid cyclooctyl ester Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC4CCCCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)C[C@@H](C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC4CCCCCCC4

InChI

InChI=1S/C28H37NO3/c1-18-25-23(29-26(18)27(31)32-22-10-8-6-5-7-9-11-22)16-20(17-24(25)30)19-12-14-21(15-13-19)28(2,3)4/h12-15,20,22,29H,5-11,16-17H2,1-4H3/t20-/m1/s1