3-bromanyl-2-[2-[4-[4-(5-methylcyclooctyl)oxyphenoxy]phenyl]ethanoylamino]benzoic acid

Systemtic Name: 3-bromanyl-2-[2-[4-[4-(5-methylcyclooctyl)oxyphenoxy]phenyl]ethanoylamino]benzoic acid Openeye Name: 3-bromo-2-[[2-[4-[4-(5-methylcyclooctoxy)phenoxy]phenyl]acetyl]amino]benzoic acid CAS Name: 3-bromo-2-[[2-[4-[4-(5-methylcyclooctyl)oxyphenoxy]phenyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-bromo-2-[[2-[4-[4-(5-methylcyclooctyl)oxyphenoxy]phenyl]acetyl]amino]benzoic acid Traditional Name: 3-bromo-2-[[2-[4-[4-(5-methylcyclooctoxy)phenoxy]phenyl]acetyl]amino]benzoic acid Formula: C30H32BrNO5 MolecularWeight: 566.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(CCC1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)CC(=O)NC4=C(C=CC=C4Br)C(=O)O

Isomeric SMILES

CC1CCCC(CCC1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)CC(=O)NC4=C(C=CC=C4Br)C(=O)O

InChI

InChI=1S/C30H32BrNO5/c1-20-5-2-7-22(8-3-6-20)36-24-15-17-25(18-16-24)37-23-13-11-21(12-14-23)19-28(33)32-29-26(30(34)35)9-4-10-27(29)31/h4,9-18,20,22H,2-3,5-8,19H2,1H3,(H,32,33)(H,34,35)