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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-p-cumenyl-methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2S/c1-14(2)16-6-8-17(9-7-16)20(19-11-15(3)13-25-19)22-10-4-5-18(12-22)21(23)24/h6-9,11,13-14,18,20H,4-5,10,12H2,1-3H3,(H,23,24)