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

Systemtic Name: [6-(3-methylbutanoylamino)-2-oxidanyl-3-(phenylcarbonyl)indol-1-yl] 2,2-dimethylpropanoate Openeye Name: [3-benzoyl-2-hydroxy-6-(3-methylbutanoylamino)indol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-benzoyl-2-hydroxy-6-[(3-methyl-1-oxobutyl)amino]-1-indolyl] ester IUPAC Name: [3-benzoyl-2-hydroxy-6-(3-methylbutanoylamino)indol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-benzoyl-2-hydroxy-6-(isovalerylamino)indol-1-yl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-15(2)13-20(28)26-17-11-12-18-19(14-17)27(32-24(31)25(3,4)5)23(30)21(18)22(29)16-9-7-6-8-10-16/h6-12,14-15,30H,13H2,1-5H3,(H,26,28)