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

Systemtic Name: 1-[(2-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2-bromophenyl)methyl]isonipecotic acid Formula: C27H28BrNO4 MolecularWeight: 510.41952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28BrNO4/c1-32-25-17-21(11-12-24(25)33-18-19-7-3-2-4-8-19)26(22-9-5-6-10-23(22)28)29-15-13-20(14-16-29)27(30)31/h2-12,17,20,26H,13-16,18H2,1H3,(H,30,31)