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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-methoxyphenyl)methyl]nipecotic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

InChI

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