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

Systemtic Name: 2-[[[[(4-chlorophenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[[(4-chloroanilino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[[(4-chloroanilino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[[(4-chloroanilino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[[(4-chloroanilino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]glutaric acid Formula: C19H21ClNO6P MolecularWeight: 425.799901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClNO6P/c20-15-7-9-16(10-8-15)21-18(13-4-2-1-3-5-13)28(26,27)12-14(19(24)25)6-11-17(22)23/h1-5,7-10,14,18,21H,6,11-12H2,(H,22,23)(H,24,25)(H,26,27)