2-[4-(3-methoxy-4-nitro-phenoxy)-3-propan-2-yl-phenyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[4-(3-methoxy-4-nitro-phenoxy)-3-propan-2-yl-phenyl]-4-methyl-pentanoic acid Openeye Name: 2-[3-isopropyl-4-(3-methoxy-4-nitro-phenoxy)phenyl]-4-methyl-pentanoic acid CAS Name: 2-[4-(3-methoxy-4-nitrophenoxy)-3-propan-2-ylphenyl]-4-methylpentanoic acid IUPAC Name: 2-[4-(3-methoxy-4-nitrophenoxy)-3-propan-2-ylphenyl]-4-methylpentanoic acid Traditional Name: 2-[3-isopropyl-4-(3-methoxy-4-nitro-phenoxy)phenyl]-4-methyl-valeric acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])OC)C(C)C)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])OC)C(C)C)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-13(2)10-18(22(24)25)15-6-9-20(17(11-15)14(3)4)29-16-7-8-19(23(26)27)21(12-16)28-5/h6-9,11-14,18H,10H2,1-5H3,(H,24,25)