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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-quinolyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O

InChI

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