1-[(2-phenylmethoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3-thienyl)methyl]nipecotic acid Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H25NO3S/c26-24(27)19-9-6-13-25(15-19)23(20-12-14-29-17-20)21-10-4-5-11-22(21)28-16-18-7-2-1-3-8-18/h1-5,7-8,10-12,14,17,19,23H,6,9,13,15-16H2,(H,26,27)