5-bromanyl-1-[3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-bromanyl-1-[3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclobutyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5-bromo-1-[3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5-bromo-1-[3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5-bromo-1-[3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclobutyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5-bromo-1-[3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclobutyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(C2)C3(CC(=CC=C3)Br)C(=O)O)C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(C2)C3(CC(=CC=C3)Br)C(=O)O)C#N)OC4CCCC4

InChI

InChI=1S/C24H26BrNO4/c1-29-20-9-8-16(11-21(20)30-19-6-2-3-7-19)23(15-26)12-17(13-23)24(22(27)28)10-4-5-18(25)14-24/h4-5,8-11,17,19H,2-3,6-7,12-14H2,1H3,(H,27,28)