1-[(5-bromanyl-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]isonipecotic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24BrNO4/c1-26-17-6-3-14(4-7-17)20(18-13-16(22)5-8-19(18)27-2)23-11-9-15(10-12-23)21(24)25/h3-8,13,15,20H,9-12H2,1-2H3,(H,24,25)