1-[(5-bromanylthiophen-2-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-bromo-2-thienyl)methyl]nipecotic acid Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO4S/c1-30-21-14-18(9-10-20(21)31-16-17-6-3-2-4-7-17)24(22-11-12-23(26)32-22)27-13-5-8-19(15-27)25(28)29/h2-4,6-7,9-12,14,19,24H,5,8,13,15-16H2,1H3,(H,28,29)