4-[(3S,5R)-4-methyl-4-oxidanyl-1-adamantyl]benzenecarbonitrile

Systemtic Name: 4-[(3S,5R)-4-methyl-4-oxidanyl-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzonitrile CAS Name: 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzonitrile IUPAC Name: 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzonitrile Traditional Name: 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzonitrile Formula: C18H21NO MolecularWeight: 267.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC1CC(C3)(C2)C4=CC=C(C=C4)C#N)O

Isomeric SMILES

CC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C18H21NO/c1-17(20)15-6-13-7-16(17)10-18(8-13,9-15)14-4-2-12(11-19)3-5-14/h2-5,13,15-16,20H,6-10H2,1H3/t13?,15-,16+,17?,18?