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

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

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

Isomeric SMILES

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

InChI

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