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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C24H30BrNO6 MolecularWeight: 508.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C24H30BrNO6/c1-5-32-19-9-8-17(25)13-18(19)22(26-10-6-7-15(14-26)24(27)28)16-11-20(29-2)23(31-4)21(12-16)30-3/h8-9,11-13,15,22H,5-7,10,14H2,1-4H3,(H,27,28)