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

Systemtic Name: 1-[(3-methylphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(m-tolyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=CS2)C)N3CCC(CC3)C(=O)O

InChI

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