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

Systemtic Name: 5-[[4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]pentanenitrile Openeye Name: 5-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]pentanenitrile CAS Name: 5-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]pentanenitrile IUPAC Name: 5-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]pentanenitrile Traditional Name: 5-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]valeronitrile Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3/c1-3-27-20-26(2,30)28(31,22-10-6-4-7-11-22)19-23(27)13-12-21-18-24(14-15-25(21)27)32-17-9-5-8-16-29/h4,6-7,10-11,14-15,18,23,30-31H,3,5,8-9,12-13,17,19-20H2,1-2H3