[1-[(3-octoxyphenyl)methyl]pyrrolidin-3-yl]phosphonic acid

Systemtic Name: [1-[(3-octoxyphenyl)methyl]pyrrolidin-3-yl]phosphonic acid Openeye Name: [1-[(3-octoxyphenyl)methyl]pyrrolidin-3-yl]phosphonic acid CAS Name: [1-[(3-octoxyphenyl)methyl]-3-pyrrolidinyl]phosphonic acid IUPAC Name: [1-[(3-octoxyphenyl)methyl]pyrrolidin-3-yl]phosphonic acid Traditional Name: [1-(3-octoxybenzyl)pyrrolidin-3-yl]phosphonic acid Formula: C19H32NO4P MolecularWeight: 369.435441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)CN2CCC(C2)P(=O)(O)O

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)CN2CCC(C2)P(=O)(O)O

InChI

InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-13-24-18-10-8-9-17(14-18)15-20-12-11-19(16-20)25(21,22)23/h8-10,14,19H,2-7,11-13,15-16H2,1H3,(H2,21,22,23)