4-[[4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]butanenitrile

Systemtic Name: 4-[[4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]butanenitrile Openeye Name: 4-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]butanenitrile CAS Name: 4-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]butanenitrile IUPAC Name: 4-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]butanenitrile Traditional Name: 4-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]butyronitrile Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCCCC#N)(C4=CC=CC=C4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCCCC#N)(C4=CC=CC=C4)O)(C)O

InChI

InChI=1S/C27H33NO3/c1-3-26-19-25(2,29)27(30,21-9-5-4-6-10-21)18-22(26)12-11-20-17-23(13-14-24(20)26)31-16-8-7-15-28/h4-6,9-10,13-14,17,22,29-30H,3,7-8,11-12,16,18-19H2,1-2H3