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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24O3/c1-13-3-2-4-17(5-13)19(22)23-12-18(21)20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3