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

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-aminocarbonylphenoxy)ethanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2-carbamoylphenoxy)acetate CAS Name: 2-(2-carbamoylphenoxy)acetic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(2-carbamoylphenoxy)acetate Traditional Name: 2-(2-carbamoylphenoxy)acetic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=CC=C4C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C22H28N2O5/c1-13(29-19(25)12-28-18-5-3-2-4-17(18)20(23)26)21(27)24-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H2,23,26)(H,24,27)/t13-,14?,15?,16?,22?/m0/s1