butyl 4-[(4-bromophenyl)methylamino]-2-methyl-quinoline-3-carboxylate

Systemtic Name: butyl 4-[(4-bromophenyl)methylamino]-2-methyl-quinoline-3-carboxylate Openeye Name: butyl 4-[(4-bromophenyl)methylamino]-2-methyl-quinoline-3-carboxylate CAS Name: 4-[(4-bromophenyl)methylamino]-2-methyl-3-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 4-[(4-bromophenyl)methylamino]-2-methylquinoline-3-carboxylate Traditional Name: 4-[(4-bromobenzyl)amino]-2-methyl-quinoline-3-carboxylic acid butyl ester Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=CC=CC=C2N=C1C)NCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=C(C2=CC=CC=C2N=C1C)NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O2/c1-3-4-13-27-22(26)20-15(2)25-19-8-6-5-7-18(19)21(20)24-14-16-9-11-17(23)12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)