1-[(4-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]nipecotic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO5/c1-27-18-11-10-17(20(28-2)21(18)29-3)19(14-6-8-16(23)9-7-14)24-12-4-5-15(13-24)22(25)26/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,25,26)