2-[[[[(3-tert-butylphenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[[(3-tert-butylphenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[[(3-tert-butylanilino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[[(3-tert-butylanilino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[[(3-tert-butylanilino)-phenylmethyl]-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[[(3-tert-butylanilino)-phenyl-methyl]-hydroxy-phosphoryl]methyl]glutaric acid Formula: C23H30NO6P MolecularWeight: 447.461161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO6P/c1-23(2,3)18-10-7-11-19(14-18)24-21(16-8-5-4-6-9-16)31(29,30)15-17(22(27)28)12-13-20(25)26/h4-11,14,17,21,24H,12-13,15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)