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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

InChI

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