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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

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