2-(1H-indol-3-yl)-3-[oxidanyl-(phenylmethyl)phosphoryl]hexanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-3-[oxidanyl-(phenylmethyl)phosphoryl]hexanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-(1H-indol-3-yl)hexanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(1H-indol-3-yl)hexanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-(1H-indol-3-yl)hexanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-(1H-indol-3-yl)hexanoic acid Formula: C21H24NO4P MolecularWeight: 385.393321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CNC2=CC=CC=C21)C(=O)O)P(=O)(CC3=CC=CC=C3)O

Isomeric SMILES

CCCC(C(C1=CNC2=CC=CC=C21)C(=O)O)P(=O)(CC3=CC=CC=C3)O

InChI

InChI=1S/C21H24NO4P/c1-2-8-19(27(25,26)14-15-9-4-3-5-10-15)20(21(23)24)17-13-22-18-12-7-6-11-16(17)18/h3-7,9-13,19-20,22H,2,8,14H2,1H3,(H,23,24)(H,25,26)