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

Systemtic Name: [2-oxidanyl-6-(phenethylcarbamoylamino)-3-propanoyl-indol-1-yl] 2,2-dimethylpropanoate Openeye Name: [2-hydroxy-6-(phenethylcarbamoylamino)-3-propanoyl-indol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-hydroxy-6-[[oxo-(phenethylamino)methyl]amino]-3-(1-oxopropyl)-1-indolyl] ester IUPAC Name: [2-hydroxy-6-(phenethylcarbamoylamino)-3-propanoylindol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-hydroxy-6-(phenethylcarbamoylamino)-3-propionyl-indol-1-yl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)OC(=O)C(C)(C)C)O

Isomeric SMILES

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)OC(=O)C(C)(C)C)O

InChI

InChI=1S/C25H29N3O5/c1-5-20(29)21-18-12-11-17(27-24(32)26-14-13-16-9-7-6-8-10-16)15-19(18)28(22(21)30)33-23(31)25(2,3)4/h6-12,15,30H,5,13-14H2,1-4H3,(H2,26,27,32)