2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 2-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: 2-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: 2-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 2-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3C4CCC(C3C(=O)O)O4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3C4CCC(C3C(=O)O)O4

InChI

InChI=1S/C20H26N2O4/c1-12-3-5-14(6-4-12)22-10-9-21(11-13(22)2)19(23)17-15-7-8-16(26-15)18(17)20(24)25/h3-6,13,15-18H,7-11H2,1-2H3,(H,24,25)