2-[2-(bromomethyl)-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl]ethanenitrile

Systemtic Name: 2-[2-(bromomethyl)-2-methyl-7-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl]ethanenitrile Openeye Name: 2-[2-(bromomethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl]acetonitrile CAS Name: 2-[2-(bromomethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl]acetonitrile IUPAC Name: 2-[2-(bromomethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl]acetonitrile Traditional Name: 2-[2-(bromomethyl)-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl]acetonitrile Formula: C18H22BrNO MolecularWeight: 348.27738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC#N)CCC3=C2C=CC(=C3)O)CBr

Isomeric SMILES

CC1(CCC2C(C1CC#N)CCC3=C2C=CC(=C3)O)CBr

InChI

InChI=1S/C18H22BrNO/c1-18(11-19)8-6-15-14-5-3-13(21)10-12(14)2-4-16(15)17(18)7-9-20/h3,5,10,15-17,21H,2,4,6-8,11H2,1H3