7-methoxy-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid

Systemtic Name: 7-methoxy-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 7-methoxy-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxylic acid CAS Name: 7-methoxy-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 7-methoxy-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 7-methoxy-2-phenyl-3-[(4-piperidinopiperidino)methyl]cinchoninic acid Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)CN3CCC(CC3)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)CN3CCC(CC3)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N3O3/c1-34-22-10-11-23-25(18-22)29-27(20-8-4-2-5-9-20)24(26(23)28(32)33)19-30-16-12-21(13-17-30)31-14-6-3-7-15-31/h2,4-5,8-11,18,21H,3,6-7,12-17,19H2,1H3,(H,32,33)