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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

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