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

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

Systemtic Name:2-phosphono-3-[4-(1-pyrrolidin-1-ylpropyl)phenoxy]butanedioic acid
Openeye Name:2-phosphono-3-[4-(1-pyrrolidin-1-ylpropyl)phenoxy]butanedioic acid
CAS Name:2-phosphono-3-[4-[1-(1-pyrrolidinyl)propyl]phenoxy]butanedioic acid
IUPAC Name:2-phosphono-3-[4-(1-pyrrolidin-1-ylpropyl)phenoxy]butanedioic acid
Traditional Name:2-phosphono-3-[4-(1-pyrrolidinopropyl)phenoxy]succinic acid
Formula: C17H24NO8P
MolecularWeight: 401.348121
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC(C(C(=O)O)P(=O)(O)O)C(=O)O)N2CCCC2


Isomeric SMILES

CCC(C1=CC=C(C=C1)OC(C(C(=O)O)P(=O)(O)O)C(=O)O)N2CCCC2


InChI

InChI=1S/C17H24NO8P/c1-2-13(18-9-3-4-10-18)11-5-7-12(8-6-11)26-14(16(19)20)15(17(21)22)27(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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