1-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(3-bromo-5-ethoxy-4-methoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(3-bromo-5-ethoxy-4-methoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(3-bromo-5-ethoxy-4-methoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)Br)OC

InChI

InChI=1S/C20H20BrNO5/c1-3-27-17-11-12(10-15(21)18(17)26-2)19(23)22-9-5-7-13-14(20(24)25)6-4-8-16(13)22/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)