1-[(5-bromanyl-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pipecolinic acid Formula: C23H28BrNO6 MolecularWeight: 494.37552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO6/c1-28-18-9-8-15(24)13-16(18)21(25-10-6-5-7-17(25)23(26)27)14-11-19(29-2)22(31-4)20(12-14)30-3/h8-9,11-13,17,21H,5-7,10H2,1-4H3,(H,26,27)