2-[[[[(4-carboxyphenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[[(4-carboxyphenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[[(4-carboxyanilino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[[(4-carboxyanilino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[[(4-carboxyanilino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[[(4-carboxyanilino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]glutaric acid Formula: C20H22NO8P MolecularWeight: 435.364341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(=O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(=O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C20H22NO8P/c22-17(23)11-8-15(20(26)27)12-30(28,29)18(13-4-2-1-3-5-13)21-16-9-6-14(7-10-16)19(24)25/h1-7,9-10,15,18,21H,8,11-12H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)