[4-[(3-methoxyphenyl)carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[(3-methoxyphenyl)carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[(3-methoxybenzoyl)amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[(3-methoxyphenyl)-oxomethyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[(3-methoxybenzoyl)amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-(m-anisoylamino)-1-phosphono-butyl]phosphonic acid Formula: C12H19NO9P2 MolecularWeight: 383.228082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H19NO9P2/c1-22-10-5-2-4-9(8-10)11(14)13-7-3-6-12(15,23(16,17)18)24(19,20)21/h2,4-5,8,15H,3,6-7H2,1H3,(H,13,14)(H2,16,17,18)(H2,19,20,21)