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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-isopropylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(p-cumenyl)methyl]nipecotic acid Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H27NO2S/c1-16(2)17-9-11-18(12-10-17)23(25-13-5-7-20(15-25)24(26)27)22-14-19-6-3-4-8-21(19)28-22/h3-4,6,8-12,14,16,20,23H,5,7,13,15H2,1-2H3,(H,26,27)