(1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile

Systemtic Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile Openeye Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile CAS Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile IUPAC Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile Traditional Name: (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile Formula: C18H23NO MolecularWeight: 269.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CCC3=C2C=C(C=C3)OC)C)C#N

Isomeric SMILES

C[C@@]1(CCC[C@]2([C@H]1CCC3=C2C=C(C=C3)OC)C)C#N

InChI

InChI=1S/C18H23NO/c1-17(12-19)9-4-10-18(2)15-11-14(20-3)7-5-13(15)6-8-16(17)18/h5,7,11,16H,4,6,8-10H2,1-3H3/t16-,17+,18+/m0/s1