methyl 3-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-5-iodanyl-benzoate

Systemtic Name: methyl 3-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-5-iodanyl-benzoate Openeye Name: methyl 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-iodo-benzoate CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-iodobenzoate Traditional Name: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-iodo-benzoic acid methyl ester Formula: C19H18ClIN2O3 MolecularWeight: 484.71529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)I

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)I

InChI

InChI=1S/C19H18ClIN2O3/c1-26-19(25)14-10-13(11-16(21)12-14)18(24)23-8-6-22(7-9-23)17-4-2-15(20)3-5-17/h2-5,10-12H,6-9H2,1H3