2-[(3-chloranyl-4-fluoranyl-phenyl)methyl-methyl-carbamoyl]-3-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl-methyl-carbamoyl]-3-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl-methyl-carbamoyl]-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 2-[[(3-chloro-4-fluorophenyl)methyl-methylamino]-oxomethyl]-3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 2-[(3-chloro-4-fluorophenyl)methyl-methylcarbamoyl]-3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 2-[(3-chloro-4-fluoro-benzyl)-methyl-carbamoyl]-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid Formula: C21H22ClF2N3O3 MolecularWeight: 437.867486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2C(N(CCN2)C(=O)O)C(=O)N(C)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2C(N(CCN2)C(=O)O)C(=O)N(C)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H22ClF2N3O3/c1-12-9-14(23)4-5-15(12)18-19(27(21(29)30)8-7-25-18)20(28)26(2)11-13-3-6-17(24)16(22)10-13/h3-6,9-10,18-19,25H,7-8,11H2,1-2H3,(H,29,30)