2-methyl-2-[(5S,7R)-3-[4-(2-methylpropanoyl)phenyl]-1-adamantyl]-1-phenyl-propan-1-one

Systemtic Name: 2-methyl-2-[(5S,7R)-3-[4-(2-methylpropanoyl)phenyl]-1-adamantyl]-1-phenyl-propan-1-one Openeye Name: 2-methyl-2-[(5S,7R)-3-[4-(2-methylpropanoyl)phenyl]-1-adamantyl]-1-phenyl-propan-1-one CAS Name: 2-methyl-2-[(5S,7R)-3-[4-(2-methyl-1-oxopropyl)phenyl]-1-adamantyl]-1-phenyl-1-propanone IUPAC Name: 2-methyl-2-[(5S,7R)-3-[4-(2-methylpropanoyl)phenyl]-1-adamantyl]-1-phenylpropan-1-one Traditional Name: 2-[(5S,7R)-3-(4-isobutyrylphenyl)-1-adamantyl]-2-methyl-1-phenyl-propan-1-one Formula: C30H36O2 MolecularWeight: 428.60564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(C)(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(=O)C1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(C)(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H36O2/c1-20(2)26(31)23-10-12-25(13-11-23)29-15-21-14-22(16-29)18-30(17-21,19-29)28(3,4)27(32)24-8-6-5-7-9-24/h5-13,20-22H,14-19H2,1-4H3/t21-,22+,29?,30?