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2-phosphono-3-[4-(1-pyrrolidin-1-ylpropoxy)phenoxy]butanedioic acid

2-phosphono-3-[4-(1-pyrrolidin-1-ylpropoxy)phenoxy]butanedioic acid

Systemtic Name:2-phosphono-3-[4-(1-pyrrolidin-1-ylpropoxy)phenoxy]butanedioic acid
Openeye Name:2-phosphono-3-[4-(1-pyrrolidin-1-ylpropoxy)phenoxy]butanedioic acid
CAS Name:2-phosphono-3-[4-[1-(1-pyrrolidinyl)propoxy]phenoxy]butanedioic acid
IUPAC Name:2-phosphono-3-[4-(1-pyrrolidin-1-ylpropoxy)phenoxy]butanedioic acid
Traditional Name:2-phosphono-3-[4-(1-pyrrolidinopropoxy)phenoxy]succinic acid
Formula: C17H24NO9P
MolecularWeight: 417.347521
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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCCC1)OC2=CC=C(C=C2)OC(C(C(=O)O)P(=O)(O)O)C(=O)O


Isomeric SMILES

CCC(N1CCCC1)OC2=CC=C(C=C2)OC(C(C(=O)O)P(=O)(O)O)C(=O)O


InChI

InChI=1S/C17H24NO9P/c1-2-13(18-9-3-4-10-18)26-11-5-7-12(8-6-11)27-14(16(19)20)15(17(21)22)28(23,24)25/h5-8,13-15H,2-4,9-10H2,1H3,(H,19,20)(H,21,22)(H2,23,24,25)


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