2-[(4-dimethylaminophenyl)methyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-[(4-dimethylaminophenyl)methyl]-3-phosphono-butanedioic acid CAS Name: 2-[(4-dimethylaminophenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(4-dimethylaminophenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-[4-(dimethylamino)benzyl]-3-phosphono-succinic acid Formula: C13H18NO7P MolecularWeight: 331.258281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C13H18NO7P/c1-14(2)9-5-3-8(4-6-9)7-10(12(15)16)11(13(17)18)22(19,20)21/h3-6,10-11H,7H2,1-2H3,(H,15,16)(H,17,18)(H2,19,20,21)