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

Systemtic Name: 7-oxidanylidene-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1H-quinoline-4-carboxylic acid Openeye Name: 7-oxo-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]-1H-quinoline-4-carboxylic acid CAS Name: 7-oxo-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-1H-quinoline-4-carboxylic acid IUPAC Name: 7-oxo-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1H-quinoline-4-carboxylic acid Traditional Name: 7-keto-2-phenyl-3-[(4-piperidinopiperidino)methyl]-1H-quinoline-4-carboxylic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC3=C(NC4=CC(=O)C=CC4=C3C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC3=C(NC4=CC(=O)C=CC4=C3C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H31N3O3/c31-21-9-10-22-24(17-21)28-26(19-7-3-1-4-8-19)23(25(22)27(32)33)18-29-15-11-20(12-16-29)30-13-5-2-6-14-30/h1,3-4,7-10,17,20,28H,2,5-6,11-16,18H2,(H,32,33)