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

Systemtic Name: [1-[(4-heptoxycarbonylphenyl)methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid Openeye Name: [1-[(4-heptoxycarbonylphenyl)methyl]-3-hydroxy-pyrrolidin-3-yl]phosphonic acid CAS Name: [1-[[4-[heptoxy(oxo)methyl]phenyl]methyl]-3-hydroxy-3-pyrrolidinyl]phosphonic acid IUPAC Name: [1-[(4-heptoxycarbonylphenyl)methyl]-3-hydroxypyrrolidin-3-yl]phosphonic acid Traditional Name: [1-(4-heptoxycarbonylbenzyl)-3-hydroxy-pyrrolidin-3-yl]phosphonic acid Formula: C19H30NO6P MolecularWeight: 399.418361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)CN2CCC(C2)(O)P(=O)(O)O

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)CN2CCC(C2)(O)P(=O)(O)O

InChI

InChI=1S/C19H30NO6P/c1-2-3-4-5-6-13-26-18(21)17-9-7-16(8-10-17)14-20-12-11-19(22,15-20)27(23,24)25/h7-10,22H,2-6,11-15H2,1H3,(H2,23,24,25)