2-(13-ethyl-3-methoxy-17-oxidanyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)ethanenitrile

Systemtic Name: 2-(13-ethyl-3-methoxy-17-oxidanyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)ethanenitrile Openeye Name: 2-(13-ethyl-17-hydroxy-3-methoxy-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile CAS Name: 2-(13-ethyl-17-hydroxy-3-methoxy-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile IUPAC Name: 2-(13-ethyl-17-hydroxy-3-methoxy-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Traditional Name: 2-(13-ethyl-17-hydroxy-3-methoxy-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1C=CC2(CC#N)O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CCC12CCC3C(C1C=CC2(CC#N)O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H27NO2/c1-3-21-10-8-18-17-7-5-16(25-2)14-15(17)4-6-19(18)20(21)9-11-22(21,24)12-13-23/h5,7,9,11,14,18-20,24H,3-4,6,8,10,12H2,1-2H3