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

Systemtic Name: methyl 2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylate Openeye Name: methyl 2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxylate CAS Name: 2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylate Traditional Name: 2-phenyl-3-[(4-piperidinopiperidino)methyl]cinchoninic acid methyl ester Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCC(CC4)N5CCCCC5

Isomeric SMILES

COC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C28H33N3O2/c1-33-28(32)26-23-12-6-7-13-25(23)29-27(21-10-4-2-5-11-21)24(26)20-30-18-14-22(15-19-30)31-16-8-3-9-17-31/h2,4-7,10-13,22H,3,8-9,14-20H2,1H3