ethyl 2-(1-adamantyl)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl 2-(1-adamantyl)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-(1-adamantyl)-3-oxo-3-phenyl-propanoate CAS Name: 2-(1-adamantyl)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantyl)-3-oxo-3-phenylpropanoate Traditional Name: 2-(1-adamantyl)-3-keto-3-phenyl-propionic acid ethyl ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-2-24-20(23)18(19(22)17-6-4-3-5-7-17)21-11-14-8-15(12-21)10-16(9-14)13-21/h3-7,14-16,18H,2,8-13H2,1H3