carboxymethyl-oxidanyl-diphenyl-phosphanium; ethyl 3-azanyl-2-methyl-butanoate

Systemtic Name: carboxymethyl-oxidanyl-diphenyl-phosphanium; ethyl 3-azanyl-2-methyl-butanoate Openeye Name: carboxymethyl-hydroxy-diphenyl-phosphonium; ethyl 3-amino-2-methyl-butanoate CAS Name: 3-amino-2-methylbutanoic acid ethyl ester; carboxymethyl-hydroxy-diphenylphosphonium IUPAC Name: carboxymethyl-hydroxy-diphenylphosphanium; ethyl 3-amino-2-methylbutanoate Traditional Name: 3-amino-2-methyl-butyric acid ethyl ester; carboxymethyl-hydroxy-diphenyl-phosphonium Formula: C21H29NO5P+ MolecularWeight: 406.432421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C)N.C1=CC=C(C=C1)[P+](CC(=O)O)(C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C(C)C(C)N.C1=CC=C(C=C1)[P+](CC(=O)O)(C2=CC=CC=C2)O

InChI

InChI=1S/C14H13O3P.C7H15NO2/c15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-4-10-7(9)5(2)6(3)8/h1-10,17H,11H2;5-6H,4,8H2,1-3H3/p+1