3-[5-methyl-4-(1-phenylethyl)heptyl]adamantan-1-ol

Systemtic Name: 3-[5-methyl-4-(1-phenylethyl)heptyl]adamantan-1-ol Openeye Name: 3-[5-methyl-4-(1-phenylethyl)heptyl]adamantan-1-ol CAS Name: 3-[5-methyl-4-(1-phenylethyl)heptyl]-1-adamantanol IUPAC Name: 3-[5-methyl-4-(1-phenylethyl)heptyl]adamantan-1-ol Traditional Name: 3-[5-methyl-4-(1-phenylethyl)heptyl]adamantan-1-ol Formula: C26H40O MolecularWeight: 368.5952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCCC12CC3CC(C1)CC(C3)(C2)O)C(C)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C(CCCC12CC3CC(C1)CC(C3)(C2)O)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H40O/c1-4-19(2)24(20(3)23-9-6-5-7-10-23)11-8-12-25-14-21-13-22(15-25)17-26(27,16-21)18-25/h5-7,9-10,19-22,24,27H,4,8,11-18H2,1-3H3