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

Systemtic Name: 1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-bromophenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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