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

Systemtic Name: 2-[[2-[(3-bromanyl-4-butyl-phenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-(3-bromo-4-butyl-anilino)-2-oxo-ethyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-(3-bromo-4-butylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-(3-bromo-4-butylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-(3-bromo-4-butyl-anilino)-2-keto-ethyl]-(carboxymethyl)amino]acetic acid Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O)Br

Isomeric SMILES

CCCCC1=C(C=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O)Br

InChI

InChI=1S/C16H21BrN2O5/c1-2-3-4-11-5-6-12(7-13(11)17)18-14(20)8-19(9-15(21)22)10-16(23)24/h5-7H,2-4,8-10H2,1H3,(H,18,20)(H,21,22)(H,23,24)