(1S,3R)-3-cyclohexyl-6-cyclohexylidene-1-[(prop-2-enylamino)methyl]-4,5-dihydro-3H-isochromene-1,5-diol

Systemtic Name: (1S,3R)-3-cyclohexyl-6-cyclohexylidene-1-[(prop-2-enylamino)methyl]-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-1-[(allylamino)methyl]-3-cyclohexyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-3-cyclohexyl-6-cyclohexylidene-1-[(prop-2-enylamino)methyl]-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-3-cyclohexyl-6-cyclohexylidene-1-[(prop-2-enylamino)methyl]-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-1-[(allylamino)methyl]-3-cyclohexyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC1(C2=C(CC(O1)C3CCCCC3)C(C(=C4CCCCC4)C=C2)O)O

Isomeric SMILES

C=CCNC[C@@]1(C2=C(C[C@@H](O1)C3CCCCC3)C(C(=C4CCCCC4)C=C2)O)O

InChI

InChI=1S/C25H37NO3/c1-2-15-26-17-25(28)22-14-13-20(18-9-5-3-6-10-18)24(27)21(22)16-23(29-25)19-11-7-4-8-12-19/h2,13-14,19,23-24,26-28H,1,3-12,15-17H2/t23-,24?,25-/m1/s1