2,3-dimethylbutan-2-yloxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Systemtic Name: 2,3-dimethylbutan-2-yloxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: 1,1,2-trimethylpropoxycarbonyloxymethyl 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid [2,3-dimethylbutan-2-yloxy(oxo)methoxy]methyl ester IUPAC Name: 2,3-dimethylbutan-2-yloxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid thexyloxycarbonyloxymethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)OC(=O)OCOC(=O)C1=C(C2=CC=CC=C2N1)NC3=CC=NC=C3

Isomeric SMILES

CC(C)C(C)(C)OC(=O)OCOC(=O)C1=C(C2=CC=CC=C2N1)NC3=CC=NC=C3

InChI

InChI=1S/C22H25N3O5/c1-14(2)22(3,4)30-21(27)29-13-28-20(26)19-18(24-15-9-11-23-12-10-15)16-7-5-6-8-17(16)25-19/h5-12,14,25H,13H2,1-4H3,(H,23,24)