2-[2-(4-aminophenyl)ethyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-3-phosphono-butanedioic acid Openeye Name: 2-[2-(4-aminophenyl)ethyl]-3-phosphono-butanedioic acid CAS Name: 2-[2-(4-aminophenyl)ethyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-3-phosphonobutanedioic acid Traditional Name: 2-[2-(4-aminophenyl)ethyl]-3-phosphono-succinic acid Formula: C12H16NO7P MolecularWeight: 317.231701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(C(=O)O)P(=O)(O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(C(C(=O)O)P(=O)(O)O)C(=O)O)N

InChI

InChI=1S/C12H16NO7P/c13-8-4-1-7(2-5-8)3-6-9(11(14)15)10(12(16)17)21(18,19)20/h1-2,4-5,9-10H,3,6,13H2,(H,14,15)(H,16,17)(H2,18,19,20)