[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-13(27-21(26)18-3-5-19(6-4-18)23-14(2)24)20(25)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,13,15-17H,7-12H2,1-2H3,(H,23,24)