N-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl-phosphoryl]-1-pyridin-3-yl-methanamine

Systemtic Name: N-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl-phosphoryl]-1-pyridin-3-yl-methanamine Openeye Name: N-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-phenyl-phosphoryl]-1-(3-pyridyl)methanamine CAS Name: N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-(3-pyridinyl)methanamine IUPAC Name: N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-pyridin-3-ylmethanamine Traditional Name: [[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-phenyl-phosphoryl]-(3-pyridylmethyl)amine Formula: C22H31N2O2P MolecularWeight: 386.467501

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(C2=CC=CC=C2)NCC3=CN=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(C2=CC=CC=C2)NCC3=CN=CC=C3)C(C)C

InChI

InChI=1S/C22H31N2O2P/c1-17(2)21-12-11-18(3)14-22(21)26-27(25,20-9-5-4-6-10-20)24-16-19-8-7-13-23-15-19/h4-10,13,15,17-18,21-22H,11-12,14,16H2,1-3H3,(H,24,25)/t18-,21+,22-,27+/m1/s1