[3-oxidanyl-1-[[4-(4-phenylbutoxy)phenyl]methyl]pyrrolidin-3-yl]phosphonic acid

Systemtic Name: [3-oxidanyl-1-[[4-(4-phenylbutoxy)phenyl]methyl]pyrrolidin-3-yl]phosphonic acid Openeye Name: [3-hydroxy-1-[[4-(4-phenylbutoxy)phenyl]methyl]pyrrolidin-3-yl]phosphonic acid CAS Name: [3-hydroxy-1-[[4-(4-phenylbutoxy)phenyl]methyl]-3-pyrrolidinyl]phosphonic acid IUPAC Name: [3-hydroxy-1-[[4-(4-phenylbutoxy)phenyl]methyl]pyrrolidin-3-yl]phosphonic acid Traditional Name: [3-hydroxy-1-[4-(4-phenylbutoxy)benzyl]pyrrolidin-3-yl]phosphonic acid Formula: C21H28NO5P MolecularWeight: 405.424481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1(O)P(=O)(O)O)CC2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1(O)P(=O)(O)O)CC2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C21H28NO5P/c23-21(28(24,25)26)13-14-22(17-21)16-19-9-11-20(12-10-19)27-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,23H,4-5,8,13-17H2,(H2,24,25,26)