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

Systemtic Name: 1-[(4-propan-2-ylphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-cumenyl(3-thienyl)methyl]nipecotic acid Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S/c1-14(2)15-5-7-16(8-6-15)19(18-9-11-24-13-18)21-10-3-4-17(12-21)20(22)23/h5-9,11,13-14,17,19H,3-4,10,12H2,1-2H3,(H,22,23)