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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(4-methyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2NO2S/c1-11-7-16(24-10-11)17(12-4-5-14(19)15(20)8-12)21-6-2-3-13(9-21)18(22)23/h4-5,7-8,10,13,17H,2-3,6,9H2,1H3,(H,22,23)