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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C18H19Cl2NO2S MolecularWeight: 384.31996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H19Cl2NO2S/c1-11-2-5-16(24-11)17(13-3-4-14(19)15(20)10-13)21-8-6-12(7-9-21)18(22)23/h2-5,10,12,17H,6-9H2,1H3,(H,22,23)