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

Systemtic Name: 2-[[[(3-methylphenyl)amino]methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(3-methylanilino)methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[(3-methylanilino)methyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(3-methylanilino)methyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy(m-toluidinomethyl)phosphoryl]methyl]glutaric acid Formula: C14H20NO6P MolecularWeight: 329.285461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCP(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)NCP(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C14H20NO6P/c1-10-3-2-4-12(7-10)15-9-22(20,21)8-11(14(18)19)5-6-13(16)17/h2-4,7,11,15H,5-6,8-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)