2-imidazol-1-ylethyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: 2-imidazol-1-ylethyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 2-imidazol-1-ylethyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 2-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid 2-imidazol-1-ylethyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCCN4C=CN=C4

InChI

InChI=1S/C21H16BrN3O2/c22-16-7-5-15(6-8-16)20-13-18(17-3-1-2-4-19(17)24-20)21(26)27-12-11-25-10-9-23-14-25/h1-10,13-14H,11-12H2