1-[(5-bromanyl-2-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H23BrN2O3/c1-29-21-9-8-18(24)12-19(21)22(26-10-4-6-16(14-26)23(27)28)17-11-15-5-2-3-7-20(15)25-13-17/h2-3,5,7-9,11-13,16,22H,4,6,10,14H2,1H3,(H,27,28)