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

Systemtic Name: 1-[(4-methylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(p-tolyl)methyl]nipecotic acid Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-13-5-7-15(8-6-13)18(17-10-14(2)12-23-17)20-9-3-4-16(11-20)19(21)22/h5-8,10,12,16,18H,3-4,9,11H2,1-2H3,(H,21,22)