2-bromanyl-3-(1-methylcyclohexyl)-4-phenylmethoxy-benzoic acid

Systemtic Name: 2-bromanyl-3-(1-methylcyclohexyl)-4-phenylmethoxy-benzoic acid Openeye Name: 4-benzyloxy-2-bromo-3-(1-methylcyclohexyl)benzoic acid CAS Name: 2-bromo-3-(1-methylcyclohexyl)-4-phenylmethoxybenzoic acid IUPAC Name: 2-bromo-3-(1-methylcyclohexyl)-4-phenylmethoxybenzoic acid Traditional Name: 4-benzoxy-2-bromo-3-(1-methylcyclohexyl)benzoic acid Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=C(C=CC(=C2Br)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC1)C2=C(C=CC(=C2Br)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrO3/c1-21(12-6-3-7-13-21)18-17(11-10-16(19(18)22)20(23)24)25-14-15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-14H2,1H3,(H,23,24)