methyl 4-[(3R,5S)-4-oxidanylidene-1-adamantyl]benzoate

Systemtic Name: methyl 4-[(3R,5S)-4-oxidanylidene-1-adamantyl]benzoate Openeye Name: methyl 4-[(3R,5S)-4-oxo-1-adamantyl]benzoate CAS Name: 4-[(3R,5S)-4-oxo-1-adamantyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3R,5S)-4-oxo-1-adamantyl]benzoate Traditional Name: 4-[(3R,5S)-4-keto-1-adamantyl]benzoic acid methyl ester Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C23CC4CC(C2)C(=O)C(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C23C[C@H]4CC(C2)C[C@@H](C3)C4=O

InChI

InChI=1S/C18H20O3/c1-21-17(20)12-2-4-15(5-3-12)18-8-11-6-13(9-18)16(19)14(7-11)10-18/h2-5,11,13-14H,6-10H2,1H3/t11?,13-,14+,18?