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

Systemtic Name: [6-(3-methylbutanoylamino)-2-oxidanyl-3-propanoyl-indol-1-yl] 2,2-dimethylpropanoate Openeye Name: [2-hydroxy-6-(3-methylbutanoylamino)-3-propanoyl-indol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-hydroxy-6-[(3-methyl-1-oxobutyl)amino]-3-(1-oxopropyl)-1-indolyl] ester IUPAC Name: [2-hydroxy-6-(3-methylbutanoylamino)-3-propanoylindol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-hydroxy-6-(isovalerylamino)-3-propionyl-indol-1-yl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)CC(C)C)OC(=O)C(C)(C)C)O

Isomeric SMILES

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)CC(C)C)OC(=O)C(C)(C)C)O

InChI

InChI=1S/C21H28N2O5/c1-7-16(24)18-14-9-8-13(22-17(25)10-12(2)3)11-15(14)23(19(18)26)28-20(27)21(4,5)6/h8-9,11-12,26H,7,10H2,1-6H3,(H,22,25)