2-[[2-[(3-bromanyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-bromanyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-(3-bromo-4-isopropyl-anilino)-2-oxo-ethyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-(3-bromo-4-propan-2-ylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-(3-bromo-4-propan-2-ylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-(3-bromo-4-isopropyl-anilino)-2-keto-ethyl]-(carboxymethyl)amino]acetic acid Formula: C15H19BrN2O5 MolecularWeight: 387.22576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O)Br

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O)Br

InChI

InChI=1S/C15H19BrN2O5/c1-9(2)11-4-3-10(5-12(11)16)17-13(19)6-18(7-14(20)21)8-15(22)23/h3-5,9H,6-8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)