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

Systemtic Name: 2-[[[[(3-methylphenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(3-methylanilino)-phenyl-methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[(3-methylanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(3-methylanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[m-toluidino(phenyl)methyl]phosphoryl]methyl]glutaric acid Formula: C20H24NO6P MolecularWeight: 405.381421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(C2=CC=CC=C2)P(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(C2=CC=CC=C2)P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C20H24NO6P/c1-14-6-5-9-17(12-14)21-19(15-7-3-2-4-8-15)28(26,27)13-16(20(24)25)10-11-18(22)23/h2-9,12,16,19,21H,10-11,13H2,1H3,(H,22,23)(H,24,25)(H,26,27)