1-[4-(3-bromanylphenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-(3-bromanylphenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(3-bromophenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[4-(3-bromophenoxy)-1-oxobutyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(3-bromophenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(3-bromophenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CCCOC3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CCCOC3=CC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C20H20BrNO4/c21-14-5-1-6-15(13-14)26-12-4-10-19(23)22-11-3-8-16-17(20(24)25)7-2-9-18(16)22/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,24,25)