1-[(5-chloranylthiophen-2-yl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,4-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,4-dimethylphenyl)methyl]nipecotic acid Formula: C19H22ClNO2S MolecularWeight: 363.90148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C19H22ClNO2S/c1-12-5-6-15(13(2)10-12)18(16-7-8-17(20)24-16)21-9-3-4-14(11-21)19(22)23/h5-8,10,14,18H,3-4,9,11H2,1-2H3,(H,22,23)