7-isocyano-4a-(phenylmethyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Systemtic Name: 7-isocyano-4a-(phenylmethyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Openeye Name: 4a-benzyl-7-isocyano-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol CAS Name: 7-isocyano-4a-(phenylmethyl)-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol IUPAC Name: 4a-benzyl-7-isocyano-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Traditional Name: 4a-benzyl-7-isocyano-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Formula: C25H25NO MolecularWeight: 355.4721

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)[N+]#[C-])CC4=CC=CC=C4)O

Isomeric SMILES

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)[N+]#[C-])CC4=CC=CC=C4)O

InChI

InChI=1S/C25H25NO/c1-3-13-24(27)14-15-25(17-19-7-5-4-6-8-19)21(18-24)10-9-20-16-22(26-2)11-12-23(20)25/h4-8,11-12,16,21,27H,9-10,14-15,17-18H2,1H3