2-[2-chloranyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-chloranyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methyl-pentanoic acid Openeye Name: 2-[2-chloro-6-[[4-(2-quinolylmethoxy)phenoxy]methyl]phenoxy]-4-methyl-pentanoic acid CAS Name: 2-[2-chloro-6-[[4-(2-quinolinylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid IUPAC Name: 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid Traditional Name: 2-[2-chloro-6-[[4-(2-quinolylmethoxy)phenoxy]methyl]phenoxy]-4-methyl-valeric acid Formula: C29H28ClNO5 MolecularWeight: 505.98932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)OC1=C(C=CC=C1Cl)COC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)O)OC1=C(C=CC=C1Cl)COC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H28ClNO5/c1-19(2)16-27(29(32)33)36-28-21(7-5-8-25(28)30)17-34-23-12-14-24(15-13-23)35-18-22-11-10-20-6-3-4-9-26(20)31-22/h3-15,19,27H,16-18H2,1-2H3,(H,32,33)