2-(4-bromophenyl)quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 2-(4-bromophenyl)quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 2-(4-bromophenyl)quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 2-(4-bromophenyl)quinoline-4-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 2-(4-bromophenyl)cinchoninic acid Formula: C23H19BrN2O2 MolecularWeight: 435.31316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H10BrNO2.C7H9N/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;8-6-7-4-2-1-3-5-7/h1-9H,(H,19,20);1-5H,6,8H2