[bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [bis[(2-methyl-5-propan-2-ylcyclohexyl)oxy]phosphoryl-(3-pyridinyl)methyl] ester IUPAC Name: [bis[(2-methyl-5-propan-2-ylcyclohexyl)oxy]phosphoryl-pyridin-3-ylmethyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C36H49N2O5P MolecularWeight: 620.758421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OP(=O)(C(C2=CN=CC=C2)OC(=O)C(=CC3=CC=CC=C3)C#N)OC4CC(CCC4C)C(C)C)C(C)C

Isomeric SMILES

CC1CCC(CC1OP(=O)(C(C2=CN=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N)OC4CC(CCC4C)C(C)C)C(C)C

InChI

InChI=1S/C36H49N2O5P/c1-24(2)29-16-14-26(5)33(20-29)42-44(40,43-34-21-30(25(3)4)17-15-27(34)6)36(31-13-10-18-38-23-31)41-35(39)32(22-37)19-28-11-8-7-9-12-28/h7-13,18-19,23-27,29-30,33-34,36H,14-17,20-21H2,1-6H3/b32-19+