methyl 2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(2,5-dimethoxybenzyl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)CC4=C(C=CC(=C4)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)CC4=C(C=CC(=C4)OC)OC)C(=O)OC

InChI

InChI=1S/C26H31N3O4/c1-18-21-7-5-6-8-22(21)27-23(25(18)26(30)33-4)17-29-13-11-28(12-14-29)16-19-15-20(31-2)9-10-24(19)32-3/h5-10,15H,11-14,16-17H2,1-4H3