1-adamantyloxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Systemtic Name: 1-adamantyloxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: 1-adamantyloxycarbonyloxymethyl 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid [1-adamantyloxy(oxo)methoxy]methyl ester IUPAC Name: 1-adamantyloxycarbonyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid 1-adamantyloxycarbonyloxymethyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)OCOC(=O)C4=C(C5=CC=CC=C5N4)NC6=CC=NC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)OCOC(=O)C4=C(C5=CC=CC=C5N4)NC6=CC=NC=C6

InChI

InChI=1S/C26H27N3O5/c30-24(23-22(28-19-5-7-27-8-6-19)20-3-1-2-4-21(20)29-23)32-15-33-25(31)34-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18,29H,9-15H2,(H,27,28)