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

Systemtic Name: methyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-o-phenetylpiperazino)methyl]quinoline-3-carboxylic acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

InChI=1S/C25H29N3O3/c1-4-31-23-12-8-7-11-22(23)28-15-13-27(14-16-28)17-21-24(25(29)30-3)18(2)19-9-5-6-10-20(19)26-21/h5-12H,4,13-17H2,1-3H3