ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC(=C4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC(=C4C)C)C

InChI

InChI=1S/C26H31N3O2/c1-5-31-26(30)25-20(4)21-10-6-7-11-22(21)27-23(25)17-28-13-15-29(16-14-28)24-12-8-9-18(2)19(24)3/h6-12H,5,13-17H2,1-4H3