1-[(4-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-p-cumenyl-methyl]isonipecotic acid Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2S/c1-14(2)16-4-6-17(7-5-16)20(19-12-15(3)13-25-19)22-10-8-18(9-11-22)21(23)24/h4-7,12-14,18,20H,8-11H2,1-3H3,(H,23,24)