2-[[2-azanyl-1-(3-butylphenyl)-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-azanyl-1-(3-butylphenyl)-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-amino-1-(3-butylphenyl)-2-oxo-ethyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-amino-1-(3-butylphenyl)-2-oxoethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-amino-1-(3-butylphenyl)-2-oxoethyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-amino-1-(3-butylphenyl)-2-keto-ethyl]-(carboxymethyl)amino]acetic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)C(C(=O)N)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCC1=CC(=CC=C1)C(C(=O)N)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H22N2O5/c1-2-3-5-11-6-4-7-12(8-11)15(16(17)23)18(9-13(19)20)10-14(21)22/h4,6-8,15H,2-3,5,9-10H2,1H3,(H2,17,23)(H,19,20)(H,21,22)