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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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