3-bromanyl-4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid Openeye Name: 3-bromo-5-methoxy-4-[2-oxo-2-(sec-butylamino)ethoxy]benzoic acid CAS Name: 3-bromo-4-[2-(butan-2-ylamino)-2-oxoethoxy]-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-[2-(butan-2-ylamino)-2-oxoethoxy]-5-methoxybenzoic acid Traditional Name: 3-bromo-4-[2-keto-2-(sec-butylamino)ethoxy]-5-methoxy-benzoic acid Formula: C14H18BrNO5 MolecularWeight: 360.20042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1Br)C(=O)O)OC

Isomeric SMILES

CCC(C)NC(=O)COC1=C(C=C(C=C1Br)C(=O)O)OC

InChI

InChI=1S/C14H18BrNO5/c1-4-8(2)16-12(17)7-21-13-10(15)5-9(14(18)19)6-11(13)20-3/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,18,19)