methyl 4-methyl-2-[[4-(phenylcarbamoyl)piperidin-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(phenylcarbamoyl)piperidin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(phenylcarbamoyl)-1-piperidyl]methyl]quinoline-3-carboxylate CAS Name: 2-[[4-[anilino(oxo)methyl]-1-piperidinyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(phenylcarbamoyl)piperidin-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(phenylcarbamoyl)piperidino]methyl]quinoline-3-carboxylic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O3/c1-17-20-10-6-7-11-21(20)27-22(23(17)25(30)31-2)16-28-14-12-18(13-15-28)24(29)26-19-8-4-3-5-9-19/h3-11,18H,12-16H2,1-2H3,(H,26,29)