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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O3/c1-14-7-20(19-5-3-4-6-21(19)25-14)23(28)29-15(2)22(27)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,15-18H,8-13H2,1-2H3,(H,26,27)/t15-,16?,17?,18?,24?/m1/s1