[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-13(23)22-18-4-2-3-17(8-18)20(25)26-12-19(24)21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,22,23)