[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=O)NC5=CC=CC=C54

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C23H26N2O4/c1-13(21(27)25-23-10-14-6-15(11-23)8-16(7-14)12-23)29-22(28)18-9-20(26)24-19-5-3-2-4-17(18)19/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,24,26)(H,25,27)/t13-,14?,15?,16?,23?/m1/s1