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

Systemtic Name: [bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-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)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C36H52NO6P MolecularWeight: 625.774941

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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)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)OC4CC(CCC4C)C(C)C)C(C)C

InChI

InChI=1S/C36H52NO6P/c1-24(2)29-15-10-26(5)33(21-29)42-44(39,43-34-22-30(25(3)4)16-11-27(34)6)36(31-9-8-20-37-23-31)41-35(38)19-14-28-12-17-32(40-7)18-13-28/h8-9,12-14,17-20,23-27,29-30,33-34,36H,10-11,15-16,21-22H2,1-7H3/b19-14+