4-oxidanylidene-4-[2-(2,3,6-trimethylphenoxy)ethylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[2-(2,3,6-trimethylphenoxy)ethylamino]butanoate Openeye Name: 4-oxo-4-[2-(2,3,6-trimethylphenoxy)ethylamino]butanoate CAS Name: 4-oxo-4-[2-(2,3,6-trimethylphenoxy)ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-(2,3,6-trimethylphenoxy)ethylamino]butanoate Traditional Name: 4-keto-4-[2-(2,3,6-trimethylphenoxy)ethylamino]butyrate Formula: C15H20NO4- MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCNC(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCNC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C15H21NO4/c1-10-4-5-11(2)15(12(10)3)20-9-8-16-13(17)6-7-14(18)19/h4-5H,6-9H2,1-3H3,(H,16,17)(H,18,19)/p-1