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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic 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)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)CNC(=O)C

Isomeric SMILES

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

InChI

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