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

Systemtic Name: 2-[[[[(4-methylphenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(4-methylanilino)-phenyl-methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[(4-methylanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(4-methylanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[phenyl(p-toluidino)methyl]phosphoryl]methyl]glutaric acid Formula: C20H24NO6P MolecularWeight: 405.381421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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