4-[oxidanyl-[[(phenylmethyl)-propan-2-yl-amino]methyl]phosphoryl]benzoic acid

Systemtic Name: 4-[oxidanyl-[[(phenylmethyl)-propan-2-yl-amino]methyl]phosphoryl]benzoic acid Openeye Name: 4-[[benzyl(isopropyl)amino]methyl-hydroxy-phosphoryl]benzoic acid CAS Name: 4-[hydroxy-[[(phenylmethyl)-propan-2-ylamino]methyl]phosphoryl]benzoic acid IUPAC Name: 4-[[benzyl(propan-2-yl)amino]methyl-hydroxyphosphoryl]benzoic acid Traditional Name: 4-[[benzyl(isopropyl)amino]methyl-hydroxy-phosphoryl]benzoic acid Formula: C18H22NO4P MolecularWeight: 347.345341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CP(=O)(C2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CP(=O)(C2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C18H22NO4P/c1-14(2)19(12-15-6-4-3-5-7-15)13-24(22,23)17-10-8-16(9-11-17)18(20)21/h3-11,14H,12-13H2,1-2H3,(H,20,21)(H,22,23)