[2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [1-hydroxy-2-[2-(6-methoxy-1-naphthyl)propanoylamino]-1-phosphono-hexyl]phosphonic acid CAS Name: [1-hydroxy-2-[[2-(6-methoxy-1-naphthalenyl)-1-oxopropyl]amino]-1-phosphonohexyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[2-(6-methoxynaphthalen-1-yl)propanoylamino]-1-phosphonohexyl]phosphonic acid Traditional Name: [1-hydroxy-2-[2-(6-methoxy-1-naphthyl)propanoylamino]-1-phosphono-hexyl]phosphonic acid Formula: C20H29NO9P2 MolecularWeight: 489.393082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(C)C1=CC=CC2=C1C=CC(=C2)OC

Isomeric SMILES

CCCCC(C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(C)C1=CC=CC2=C1C=CC(=C2)OC

InChI

InChI=1S/C20H29NO9P2/c1-4-5-9-18(20(23,31(24,25)26)32(27,28)29)21-19(22)13(2)16-8-6-7-14-12-15(30-3)10-11-17(14)16/h6-8,10-13,18,23H,4-5,9H2,1-3H3,(H,21,22)(H2,24,25,26)(H2,27,28,29)