(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one

Systemtic Name: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one Openeye Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one CAS Name: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate; 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one Traditional Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate; 4-pyrrolidino-1-(2,4,6-trimethoxyphenyl)butan-1-one Formula: C25H35N2O10P MolecularWeight: 554.526561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC

InChI

InChI=1S/C17H25NO4.C8H10NO6P/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h11-12H,4-10H2,1-3H3;2-3,11H,4H2,1H3,(H2,12,13,14)