N'-[(E)-1-azanyl-2-cyano-3-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-3-(4-phenylmethoxyphenyl)prop-1-enyl]benzenecarboximidamide

Systemtic Name: N'-[(E)-1-azanyl-2-cyano-3-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-3-(4-phenylmethoxyphenyl)prop-1-enyl]benzenecarboximidamide Openeye Name: N'-[(E)-1-amino-3-(4-benzyloxyphenyl)-2-cyano-3-(4,4-dimethyl-2,6-dioxo-cyclohexyl)prop-1-enyl]benzamidine CAS Name: N'-[(E)-1-amino-2-cyano-3-(4,4-dimethyl-2,6-dioxocyclohexyl)-3-(4-phenylmethoxyphenyl)prop-1-enyl]benzenecarboximidamide IUPAC Name: N'-[(E)-1-amino-2-cyano-3-(4,4-dimethyl-2,6-dioxocyclohexyl)-3-(4-phenylmethoxyphenyl)prop-1-enyl]benzenecarboximidamide Traditional Name: N'-[(E)-1-amino-3-(4-benzoxyphenyl)-2-cyano-3-(2,6-diketo-4,4-dimethyl-cyclohexyl)prop-1-enyl]benzamidine Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=C(N)N=C(C4=CC=CC=C4)N)C#N)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)/C(=C(/N)\N=C(\C4=CC=CC=C4)/N)/C#N)C

InChI

InChI=1S/C32H32N4O3/c1-32(2)17-26(37)29(27(38)18-32)28(25(19-33)31(35)36-30(34)23-11-7-4-8-12-23)22-13-15-24(16-14-22)39-20-21-9-5-3-6-10-21/h3-16,28-29H,17-18,20,35H2,1-2H3,(H2,34,36)/b31-25-