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

Systemtic Name: [6-(butylcarbamoylamino)-2-oxidanyl-3-(phenylcarbonyl)indol-1-yl] 2,2-dimethylpropanoate Openeye Name: [3-benzoyl-6-(butylcarbamoylamino)-2-hydroxy-indol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-benzoyl-6-[[butylamino(oxo)methyl]amino]-2-hydroxy-1-indolyl] ester IUPAC Name: [3-benzoyl-6-(butylcarbamoylamino)-2-hydroxyindol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-benzoyl-6-(butylcarbamoylamino)-2-hydroxy-indol-1-yl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c1-5-6-14-26-24(32)27-17-12-13-18-19(15-17)28(33-23(31)25(2,3)4)22(30)20(18)21(29)16-10-8-7-9-11-16/h7-13,15,30H,5-6,14H2,1-4H3,(H2,26,27,32)