[bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] 2-phenylethanoate

Systemtic Name: [bis[(2-methyl-5-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] 2-phenylethanoate Openeye Name: [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] 2-phenylacetate CAS Name: 2-phenylacetic 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] 2-phenylacetate Traditional Name: 2-phenylacetic acid [bis(5-isopropyl-2-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C34H50NO5P MolecularWeight: 583.738261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50NO5P/c1-23(2)28-16-14-25(5)31(20-28)39-41(37,40-32-21-29(24(3)4)17-15-26(32)6)34(30-13-10-18-35-22-30)38-33(36)19-27-11-8-7-9-12-27/h7-13,18,22-26,28-29,31-32,34H,14-17,19-21H2,1-6H3