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

Systemtic Name: 8-chloranyl-7-methoxy-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 8-chloro-7-methoxy-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxylic acid CAS Name: 8-chloro-7-methoxy-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-7-methoxy-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 8-chloro-7-methoxy-2-phenyl-3-[(4-piperidinopiperidino)methyl]cinchoninic acid Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)CN3CCC(CC3)N4CCCCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)CN3CCC(CC3)N4CCCCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H32ClN3O3/c1-35-23-11-10-21-24(28(33)34)22(26(30-27(21)25(23)29)19-8-4-2-5-9-19)18-31-16-12-20(13-17-31)32-14-6-3-7-15-32/h2,4-5,8-11,20H,3,6-7,12-18H2,1H3,(H,33,34)