4-oxidanylidene-4-[4-(2-phenoxyethoxycarbonyl)piperazin-1-yl]-3-(phosphonomethyl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(2-phenoxyethoxycarbonyl)piperazin-1-yl]-3-(phosphonomethyl)butanoic acid Openeye Name: 4-oxo-4-[4-(2-phenoxyethoxycarbonyl)piperazin-1-yl]-3-(phosphonomethyl)butanoic acid CAS Name: 4-oxo-4-[4-[oxo(2-phenoxyethoxy)methyl]-1-piperazinyl]-3-(phosphonomethyl)butanoic acid IUPAC Name: 4-oxo-4-[4-(2-phenoxyethoxycarbonyl)piperazin-1-yl]-3-(phosphonomethyl)butanoic acid Traditional Name: 4-keto-4-[4-(2-phenoxyethoxycarbonyl)piperazino]-3-(phosphonomethyl)butyric acid Formula: C18H25N2O9P MolecularWeight: 444.372861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC(=O)O)CP(=O)(O)O)C(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)C(CC(=O)O)CP(=O)(O)O)C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C18H25N2O9P/c21-16(22)12-14(13-30(25,26)27)17(23)19-6-8-20(9-7-19)18(24)29-11-10-28-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,21,22)(H2,25,26,27)