[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC(C)C(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29NO4/c1-14(24-21(26)19-6-4-3-5-7-19)22(27)28-15(2)20(25)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,14-18H,8-13H2,1-2H3,(H,24,26)