1-[(3-fluoranyl-4-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO3S/c1-12-8-17(25-11-12)18(13-5-6-16(24-2)15(20)9-13)21-7-3-4-14(10-21)19(22)23/h5-6,8-9,11,14,18H,3-4,7,10H2,1-2H3,(H,22,23)