methyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21ClN2O3/c1-14-3-8-17(21)13-18(14)22-9-11-23(12-10-22)19(24)15-4-6-16(7-5-15)20(25)26-2/h3-8,13H,9-12H2,1-2H3