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

Systemtic Name: 6-bromanyl-2-phenyl-quinoline-4-carboxylic acid; 2-phenylethanamine Openeye Name: 6-bromo-2-phenyl-quinoline-4-carboxylic acid; 2-phenylethanamine CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid; 2-phenylethanamine IUPAC Name: 6-bromo-2-phenylquinoline-4-carboxylic acid; 2-phenylethanamine Traditional Name: 6-bromo-2-phenyl-cinchoninic acid; phenethylamine Formula: C24H21BrN2O2 MolecularWeight: 449.33974

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H10BrNO2.C8H11N/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10;9-7-6-8-4-2-1-3-5-8/h1-9H,(H,19,20);1-5H,6-7,9H2