1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C25H27NO3S/c1-18-13-23(30-17-18)24(26-12-6-10-21(15-26)25(27)28)20-9-5-11-22(14-20)29-16-19-7-3-2-4-8-19/h2-5,7-9,11,13-14,17,21,24H,6,10,12,15-16H2,1H3,(H,27,28)