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

Systemtic Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazino]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c1-34-28(33)27-23(19-30-15-17-31(18-16-30)24-13-7-8-14-25(24)32)29-22-12-6-5-11-21(22)26(27)20-9-3-2-4-10-20/h2-14,32H,15-19H2,1H3