6-bromanyl-2-phenyl-quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 6-bromanyl-2-phenyl-quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 6-bromo-2-phenyl-quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 6-bromo-2-phenylquinoline-4-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 6-bromo-2-phenyl-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=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

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