1-[(2,5-dimethylphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(3-thienyl)methyl]nipecotic acid Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-13-5-6-14(2)17(10-13)18(16-7-9-23-12-16)20-8-3-4-15(11-20)19(21)22/h5-7,9-10,12,15,18H,3-4,8,11H2,1-2H3,(H,21,22)