1-[5-(3-chlorophenyl)-6-(4-propan-2-ylphenyl)pyrazin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[5-(3-chlorophenyl)-6-(4-propan-2-ylphenyl)pyrazin-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[5-(3-chlorophenyl)-6-(4-isopropylphenyl)pyrazin-2-yl]piperidine-3-carboxylic acid CAS Name: 1-[5-(3-chlorophenyl)-6-(4-propan-2-ylphenyl)-2-pyrazinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(3-chlorophenyl)-6-(4-propan-2-ylphenyl)pyrazin-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[5-(3-chlorophenyl)-6-p-cumenyl-pyrazin-2-yl]nipecotic acid Formula: C25H26ClN3O2 MolecularWeight: 435.94584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CN=C2C3=CC(=CC=C3)Cl)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CN=C2C3=CC(=CC=C3)Cl)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C25H26ClN3O2/c1-16(2)17-8-10-18(11-9-17)24-23(19-5-3-7-21(26)13-19)27-14-22(28-24)29-12-4-6-20(15-29)25(30)31/h3,5,7-11,13-14,16,20H,4,6,12,15H2,1-2H3,(H,30,31)