[6-(octanoylamino)-2-oxidanyl-3-(phenylcarbonyl)indol-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [6-(octanoylamino)-2-oxidanyl-3-(phenylcarbonyl)indol-1-yl] 2,2-dimethylpropanoate Openeye Name: [3-benzoyl-2-hydroxy-6-(octanoylamino)indol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-benzoyl-2-hydroxy-6-(1-oxooctylamino)-1-indolyl] ester IUPAC Name: [3-benzoyl-2-hydroxy-6-(octanoylamino)indol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-benzoyl-6-(caprylylamino)-2-hydroxy-indol-1-yl] ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC2=C(C=C1)C(=C(N2OC(=O)C(C)(C)C)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)NC1=CC2=C(C=C1)C(=C(N2OC(=O)C(C)(C)C)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O5/c1-5-6-7-8-12-15-23(31)29-20-16-17-21-22(18-20)30(35-27(34)28(2,3)4)26(33)24(21)25(32)19-13-10-9-11-14-19/h9-11,13-14,16-18,33H,5-8,12,15H2,1-4H3,(H,29,31)