(E)-4-[2-carboxyethyl(hexyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-carboxyethyl(hexyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-carboxyethyl(hexyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-carboxyethyl(hexyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-carboxyethyl(hexyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-carboxyethyl(hexyl)amino]-4-keto-but-2-enoic acid Formula: C13H21NO5 MolecularWeight: 271.30954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)O)C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCN(CCC(=O)O)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H21NO5/c1-2-3-4-5-9-14(10-8-13(18)19)11(15)6-7-12(16)17/h6-7H,2-5,8-10H2,1H3,(H,16,17)(H,18,19)/b7-6+