2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylcyclopropane-1-carboxylic acid

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylcyclopropane-1-carboxylic acid Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]cyclopropanecarboxylic acid CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]cyclopropanecarboxylic acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CC3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CC3C(=O)O

InChI

InChI=1S/C16H19ClN2O3/c1-10-2-3-11(17)8-14(10)18-4-6-19(7-5-18)15(20)12-9-13(12)16(21)22/h2-3,8,12-13H,4-7,9H2,1H3,(H,21,22)