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

Systemtic Name: [6-(butylcarbamoylamino)-2-oxidanyl-3-propanoyl-indol-1-yl] 2,2-dimethylpropanoate Openeye Name: [6-(butylcarbamoylamino)-2-hydroxy-3-propanoyl-indol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[[butylamino(oxo)methyl]amino]-2-hydroxy-3-(1-oxopropyl)-1-indolyl] ester IUPAC Name: [6-(butylcarbamoylamino)-2-hydroxy-3-propanoylindol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-(butylcarbamoylamino)-2-hydroxy-3-propionyl-indol-1-yl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-6-8-11-22-20(28)23-13-9-10-14-15(12-13)24(29-19(27)21(3,4)5)18(26)17(14)16(25)7-2/h9-10,12,26H,6-8,11H2,1-5H3,(H2,22,23,28)