methyl 3-(3aH-indol-3-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoate

Systemtic Name: methyl 3-(3aH-indol-3-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoate Openeye Name: methyl 3-(3aH-indol-3-yl)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propanoate CAS Name: 3-(3aH-indol-3-yl)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(3aH-indol-3-yl)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoate Traditional Name: 3-(3aH-indol-3-yl)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propionic acid methyl ester Formula: C20H24N3O7P MolecularWeight: 449.394221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CC2=CN=C3C2C=CC=C3)C(=O)OC)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(CC2=CN=C3C2C=CC=C3)C(=O)OC)COP(=O)(O)O

InChI

InChI=1S/C20H24N3O7P/c1-12-19(24)16(14(9-21-12)11-30-31(26,27)28)10-23-18(20(25)29-2)7-13-8-22-17-6-4-3-5-15(13)17/h3-6,8-9,15,18,23-24H,7,10-11H2,1-2H3,(H2,26,27,28)