2-[[2-(4-bromanylbutoxy)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxidanylidene-prop-2-enoic acid

Systemtic Name: 2-[[2-(4-bromanylbutoxy)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxidanylidene-prop-2-enoic acid Openeye Name: 2-[[2-(4-bromobutoxy)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxo-prop-2-enoic acid CAS Name: 2-[[2-(4-bromobutoxy)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxo-2-propenoic acid IUPAC Name: 2-[[2-(4-bromobutoxy)-5-(3-ethoxycarbonylphenyl)phenyl]methyl]-3-oxoprop-2-enoic acid Traditional Name: 2-[2-(4-bromobutoxy)-5-(3-carbethoxyphenyl)benzyl]-3-keto-acrylic acid Formula: C23H23BrO6 MolecularWeight: 475.32912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OCCCCBr)CC(=C=O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OCCCCBr)CC(=C=O)C(=O)O

InChI

InChI=1S/C23H23BrO6/c1-2-29-23(28)18-7-5-6-16(12-18)17-8-9-21(30-11-4-3-10-24)19(13-17)14-20(15-25)22(26)27/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,26,27)