1-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-5-methoxy-2-methyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-5-methoxy-2-methyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-[2-(2-bromo-5-methoxy-phenyl)ethyl]-5-methoxy-2-methyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-5-methoxy-2-methyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-5-methoxy-2-methylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-[2-(2-bromo-5-methoxy-phenyl)ethyl]-5-methoxy-2-methyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=CC1(CCC2=C(C=CC(=C2)OC)Br)C(=O)O)OC

Isomeric SMILES

CC1=CCC(=CC1(CCC2=C(C=CC(=C2)OC)Br)C(=O)O)OC

InChI

InChI=1S/C18H21BrO4/c1-12-4-5-15(23-3)11-18(12,17(20)21)9-8-13-10-14(22-2)6-7-16(13)19/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,20,21)