1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)Br)OC

InChI

InChI=1S/C20H20BrNO5/c1-26-17-9-12(15(21)11-18(17)27-2)10-19(23)22-8-4-6-13-14(20(24)25)5-3-7-16(13)22/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,24,25)