2-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[2-oxo-2-(sec-butylamino)ethoxy]phenyl]acetic acid CAS Name: 2-[4-[2-(butan-2-ylamino)-2-oxoethoxy]phenyl]acetic acid IUPAC Name: 2-[4-[2-(butan-2-ylamino)-2-oxoethoxy]phenyl]acetic acid Traditional Name: 2-[4-[2-keto-2-(sec-butylamino)ethoxy]phenyl]acetic acid Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCC(C)NC(=O)COC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C14H19NO4/c1-3-10(2)15-13(16)9-19-12-6-4-11(5-7-12)8-14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)