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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)OC)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO4/c1-26-16-7-5-6-14(12-16)20(17-13-15(22)9-10-19(17)27-2)23-11-4-3-8-18(23)21(24)25/h5-7,9-10,12-13,18,20H,3-4,8,11H2,1-2H3,(H,24,25)