[(7R)-3-bromanyl-1-adamantyl]-(4-methylphenyl)methanone

Systemtic Name: [(7R)-3-bromanyl-1-adamantyl]-(4-methylphenyl)methanone Openeye Name: [(7R)-3-bromo-1-adamantyl]-(p-tolyl)methanone CAS Name: [(7R)-3-bromo-1-adamantyl]-(4-methylphenyl)methanone IUPAC Name: [(7R)-3-bromo-1-adamantyl]-(4-methylphenyl)methanone Traditional Name: [(7R)-3-bromo-1-adamantyl]-(p-tolyl)methanone Formula: C18H21BrO MolecularWeight: 333.26274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C23C[C@H]4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H21BrO/c1-12-2-4-15(5-3-12)16(20)17-7-13-6-14(8-17)10-18(19,9-13)11-17/h2-5,13-14H,6-11H2,1H3/t13-,14?,17?,18?/m1/s1