sodium 2-[2-azanyl-5-methyl-3-(4-methylphenyl)carbonyl-phenyl]ethanoate

Systemtic Name: sodium 2-[2-azanyl-5-methyl-3-(4-methylphenyl)carbonyl-phenyl]ethanoate Openeye Name: sodium 2-[2-amino-5-methyl-3-(4-methylbenzoyl)phenyl]acetate CAS Name: sodium 2-[2-amino-5-methyl-3-[(4-methylphenyl)-oxomethyl]phenyl]acetate IUPAC Name: sodium 2-[2-amino-5-methyl-3-(4-methylbenzoyl)phenyl]acetate Traditional Name: sodium 2-(2-amino-5-methyl-3-p-toluoyl-phenyl)acetate Formula: C17H16NNaO3 MolecularWeight: 305.30361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC(=O)[O-])C.[Na+]

InChI

InChI=1S/C17H17NO3.Na/c1-10-3-5-12(6-4-10)17(21)14-8-11(2)7-13(16(14)18)9-15(19)20;/h3-8H,9,18H2,1-2H3,(H,19,20);/q;+1/p-1