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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-13-10-17(23-12-13)18(16-8-4-3-6-14(16)2)20-9-5-7-15(11-20)19(21)22/h3-4,6,8,10,12,15,18H,5,7,9,11H2,1-2H3,(H,21,22)