[4-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[4-(4-methoxybenzoyl)-1-piperidyl]-1-phosphono-butyl]phosphonic acid CAS Name: [4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinyl]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4-p-anisoylpiperidino)-1-phosphono-butyl]phosphonic acid Formula: C17H27NO8P2 MolecularWeight: 435.345702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H27NO8P2/c1-26-15-6-4-13(5-7-15)17(19)14-8-11-18(12-9-14)10-2-3-16(27(20,21)22)28(23,24)25/h4-7,14,16H,2-3,8-12H2,1H3,(H2,20,21,22)(H2,23,24,25)