[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1H-indole-2-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1H-indole-2-carboxylate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C23H27N3O4/c1-13(30-21(28)19-9-17-4-2-3-5-18(17)24-19)20(27)25-22(29)26-23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,9,13-16,24H,6-8,10-12H2,1H3,(H2,25,26,27,29)/t13-,14?,15?,16?,23?/m1/s1