2-[[[[bis(phenylmethyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[[bis(phenylmethyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[[(dibenzylamino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[[[bis(phenylmethyl)amino]-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[[(dibenzylamino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[[(dibenzylamino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]glutaric acid Formula: C27H30NO6P MolecularWeight: 495.503961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(C3=CC=CC=C3)P(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(C3=CC=CC=C3)P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C27H30NO6P/c29-25(30)17-16-24(27(31)32)20-35(33,34)26(23-14-8-3-9-15-23)28(18-21-10-4-1-5-11-21)19-22-12-6-2-7-13-22/h1-15,24,26H,16-20H2,(H,29,30)(H,31,32)(H,33,34)