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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

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