[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [(1R)-2-oxo-1,2-bis(p-tolyl)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30O3/c1-17-3-7-22(8-4-17)24(28)25(23-9-5-18(2)6-10-23)30-26(29)27-14-19-11-20(15-27)13-21(12-19)16-27/h3-10,19-21,25H,11-16H2,1-2H3/t19?,20?,21?,25-,27?/m1/s1