1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-bromophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-bromophenyl)methyl]pipecolinic acid Formula: C28H30BrNO4 MolecularWeight: 524.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30BrNO4/c1-2-33-26-18-22(14-15-25(26)34-19-20-9-4-3-5-10-20)27(21-11-8-12-23(29)17-21)30-16-7-6-13-24(30)28(31)32/h3-5,8-12,14-15,17-18,24,27H,2,6-7,13,16,19H2,1H3,(H,31,32)