[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)C

InChI

InChI=1S/C23H28N2O5/c1-13(26)24-19-6-18(7-20(8-19)25-14(2)27)22(29)30-12-21(28)23-9-15-3-16(10-23)5-17(4-15)11-23/h6-8,15-17H,3-5,9-12H2,1-2H3,(H,24,26)(H,25,27)