5-bromanyl-2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-[4-[(1S)-1-methylpropyl]phenoxy]acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[4-[(2S)-butan-2-yl]phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-[4-[(1S)-1-methylpropyl]phenoxy]acetyl]amino]benzoic acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H20BrNO4/c1-3-12(2)13-4-7-15(8-5-13)25-11-18(22)21-17-9-6-14(20)10-16(17)19(23)24/h4-10,12H,3,11H2,1-2H3,(H,21,22)(H,23,24)/t12-/m0/s1