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

Systemtic Name: 2-[(4-aminocarbonylphenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-[(4-carbamoylphenyl)methyl]-3-phosphono-butanedioic acid CAS Name: 2-[(4-carbamoylphenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(4-carbamoylphenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-(4-carbamoylbenzyl)-3-phosphono-succinic acid Formula: C12H14NO8P MolecularWeight: 331.215221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C12H14NO8P/c13-10(14)7-3-1-6(2-4-7)5-8(11(15)16)9(12(17)18)22(19,20)21/h1-4,8-9H,5H2,(H2,13,14)(H,15,16)(H,17,18)(H2,19,20,21)