(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Systemtic Name: (2-methylpropan-2-yl)oxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: tert-butoxycarbonyloxymethyl 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid [(2-methylpropan-2-yl)oxy-oxomethoxy]methyl ester IUPAC Name: (2-methylpropan-2-yl)oxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid tert-butoxycarbonyloxymethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-20(2,3)28-19(25)27-12-26-18(24)17-16(22-13-8-10-21-11-9-13)14-6-4-5-7-15(14)23-17/h4-11,23H,12H2,1-3H3,(H,21,22)