[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-14(28-19(25)13-23-21(27)18-5-3-2-4-6-18)20(26)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,14-17H,7-13H2,1H3,(H,23,27)(H,24,26)/t14-,15?,16?,17?,22?/m0/s1