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

Systemtic Name: ethyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4O)C

InChI

InChI=1S/C24H27N3O3/c1-3-30-24(29)23-17(2)18-8-4-5-9-19(18)25-20(23)16-26-12-14-27(15-13-26)21-10-6-7-11-22(21)28/h4-11,28H,3,12-16H2,1-2H3