[bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C37H51N2O6P MolecularWeight: 650.784401

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H51N2O6P/c1-24(2)29-14-10-26(5)34(20-29)44-46(41,45-35-21-30(25(3)4)15-11-27(35)6)37(31-9-8-18-39-23-31)43-36(40)32(22-38)19-28-12-16-33(42-7)17-13-28/h8-9,12-13,16-19,23-27,29-30,34-35,37H,10-11,14-15,20-21H2,1-7H3/b32-19+