(3R)-3-methyl-3-[[(1,3,6-trimethoxy-3H-2-benzofuran-1-yl)methylamino]methyl]cyclohexene-1-carbonitrile

Systemtic Name: (3R)-3-methyl-3-[[(1,3,6-trimethoxy-3H-2-benzofuran-1-yl)methylamino]methyl]cyclohexene-1-carbonitrile Openeye Name: (3R)-3-methyl-3-[[(1,3,6-trimethoxy-3H-isobenzofuran-1-yl)methylamino]methyl]cyclohexene-1-carbonitrile CAS Name: (3R)-3-methyl-3-[[(1,3,6-trimethoxy-3H-isobenzofuran-1-yl)methylamino]methyl]-1-cyclohexenecarbonitrile IUPAC Name: (3R)-3-methyl-3-[[(1,3,6-trimethoxy-3H-2-benzofuran-1-yl)methylamino]methyl]cyclohexene-1-carbonitrile Traditional Name: (3R)-3-methyl-3-[[(1,3,6-trimethoxyphthalan-1-yl)methylamino]methyl]cyclohexene-1-carbonitrile Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C1)C#N)CNCC2(C3=C(C=CC(=C3)OC)C(O2)OC)OC

Isomeric SMILES

C[C@]1(CCCC(=C1)C#N)CNCC2(C3=C(C=CC(=C3)OC)C(O2)OC)OC

InChI

InChI=1S/C21H28N2O4/c1-20(9-5-6-15(11-20)12-22)13-23-14-21(26-4)18-10-16(24-2)7-8-17(18)19(25-3)27-21/h7-8,10-11,19,23H,5-6,9,13-14H2,1-4H3/t19?,20-,21?/m1/s1