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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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