4-[2-di(propan-2-yloxy)phosphoryl-1-(pyridin-3-ylamino)ethyl]-2-methoxy-6-methyl-phenol

Systemtic Name: 4-[2-di(propan-2-yloxy)phosphoryl-1-(pyridin-3-ylamino)ethyl]-2-methoxy-6-methyl-phenol Openeye Name: 4-[2-diisopropoxyphosphoryl-1-(3-pyridylamino)ethyl]-2-methoxy-6-methyl-phenol CAS Name: 4-[2-di(propan-2-yloxy)phosphoryl-1-(3-pyridinylamino)ethyl]-2-methoxy-6-methylphenol IUPAC Name: 4-[2-di(propan-2-yloxy)phosphoryl-1-(pyridin-3-ylamino)ethyl]-2-methoxy-6-methylphenol Traditional Name: 4-[2-diisopropoxyphosphoryl-1-(3-pyridylamino)ethyl]-2-methoxy-6-methyl-phenol Formula: C21H31N2O5P MolecularWeight: 422.455001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CP(=O)(OC(C)C)OC(C)C)NC2=CN=CC=C2)OC)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(CP(=O)(OC(C)C)OC(C)C)NC2=CN=CC=C2)OC)O

InChI

InChI=1S/C21H31N2O5P/c1-14(2)27-29(25,28-15(3)4)13-19(23-18-8-7-9-22-12-18)17-10-16(5)21(24)20(11-17)26-6/h7-12,14-15,19,23-24H,13H2,1-6H3