(2R,4aS,10aR)-4a-(phenylmethyl)-7-[[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Systemtic Name: (2R,4aS,10aR)-4a-(phenylmethyl)-7-[[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Openeye Name: (2R,4aS,10aR)-4a-benzyl-7-[[5-[2-(1-piperidyl)ethyl]-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol CAS Name: (2R,4aS,10aR)-4a-(phenylmethyl)-7-[[5-[2-(1-piperidinyl)ethyl]-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol IUPAC Name: (2R,4aS,10aR)-4a-benzyl-7-[[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Traditional Name: (2R,4aS,10aR)-4a-benzyl-7-[[5-(2-piperidinoethyl)-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Formula: C34H41N3O3 MolecularWeight: 539.70764

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)OCC4=NOC(=N4)CCN5CCCCC5)CC6=CC=CC=C6)O

Isomeric SMILES

CC#C[C@]1(CC[C@@]2([C@@H](C1)CCC3=C2C=CC(=C3)OCC4=NOC(=N4)CCN5CCCCC5)CC6=CC=CC=C6)O

InChI

InChI=1S/C34H41N3O3/c1-2-16-33(38)17-18-34(23-26-9-5-3-6-10-26)28(24-33)12-11-27-22-29(13-14-30(27)34)39-25-31-35-32(40-36-31)15-21-37-19-7-4-8-20-37/h3,5-6,9-10,13-14,22,28,38H,4,7-8,11-12,15,17-21,23-25H2,1H3/t28-,33-,34+/m1/s1