6-bromanyl-2-phenyl-quinoline-4-carboxylic acid; 2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: 6-bromanyl-2-phenyl-quinoline-4-carboxylic acid; 2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: 6-bromo-2-phenyl-quinoline-4-carboxylic acid; 2-(3,4-dimethoxyphenyl)ethanamine CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid; 2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: 6-bromo-2-phenylquinoline-4-carboxylic acid; 2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: 6-bromo-2-phenyl-cinchoninic acid; homoveratrylamine Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN)OC.C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCN)OC.C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C16H10BrNO2.C10H15NO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h1-9H,(H,19,20);3-4,7H,5-6,11H2,1-2H3