[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1-methylindole-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1-methylindole-3-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C23H28N2O3/c1-14(28-22(27)19-13-25(2)20-6-4-3-5-18(19)20)21(26)24-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17H,7-12H2,1-2H3,(H,24,26)/t14-,15?,16?,17?,23?/m1/s1