[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(methylamino)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(methylamino)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25NO3/c1-21-17-5-3-2-4-16(17)19(23)24-12-18(22)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3