(1R,3aS)-8-methoxy-1-methyl-2,3,3a,4,5,6-hexahydrophenalene-1-carbonitrile

Systemtic Name: (1R,3aS)-8-methoxy-1-methyl-2,3,3a,4,5,6-hexahydrophenalene-1-carbonitrile Openeye Name: (1R,3aS)-8-methoxy-1-methyl-2,3,3a,4,5,6-hexahydrophenalene-1-carbonitrile CAS Name: (1R,3aS)-8-methoxy-1-methyl-2,3,3a,4,5,6-hexahydrophenalene-1-carbonitrile IUPAC Name: (1R,3aS)-8-methoxy-1-methyl-2,3,3a,4,5,6-hexahydrophenalene-1-carbonitrile Traditional Name: (1R,3aS)-8-methoxy-1-methyl-2,3,3a,4,5,6-hexahydrophenalene-1-carbonitrile Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2CCCC3=CC(=CC1=C23)OC)C#N

Isomeric SMILES

C[C@]1(CC[C@@H]2CCCC3=CC(=CC1=C23)OC)C#N

InChI

InChI=1S/C16H19NO/c1-16(10-17)7-6-11-4-3-5-12-8-13(18-2)9-14(16)15(11)12/h8-9,11H,3-7H2,1-2H3/t11-,16-/m0/s1