[bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-pyridin-3-yl-methyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-(3-pyridinyl)methyl] ester IUPAC Name: [bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-pyridin-3-ylmethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-(3-pyridyl)methyl] ester Formula: C37H54N3O8P MolecularWeight: 699.813721

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC5CC(CCC5C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC5CC(CCC5C(C)C)C)C(C)C

InChI

InChI=1S/C37H54N3O8P/c1-24(2)30-12-9-26(5)20-34(30)47-49(44,48-35-21-27(6)10-13-31(35)25(3)4)37(29-8-7-15-38-23-29)46-36(41)28-11-14-32(33(22-28)40(42)43)39-16-18-45-19-17-39/h7-8,11,14-15,22-27,30-31,34-35,37H,9-10,12-13,16-21H2,1-6H3