[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-acetamidophenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-acetamidophenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C23H30N2O4/c1-14(29-21(27)10-16-3-5-20(6-4-16)24-15(2)26)22(28)25-23-11-17-7-18(12-23)9-19(8-17)13-23/h3-6,14,17-19H,7-13H2,1-2H3,(H,24,26)(H,25,28)/t14-,17?,18?,19?,23?/m1/s1