4-[2-(3-methylphenoxy)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(3-methylphenoxy)ethylamino]butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-10-3-2-4-11(9-10)18-8-7-14-12(15)5-6-13(16)17/h2-4,9H,5-8H2,1H3,(H,14,15)(H,16,17)/p-1