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

Systemtic Name: 3-(4-fluoranyl-2-methyl-phenyl)-2-[(4-fluorophenyl)methyl-methyl-carbamoyl]piperazine-1-carboxylic acid Openeye Name: 3-(4-fluoro-2-methyl-phenyl)-2-[(4-fluorophenyl)methyl-methyl-carbamoyl]piperazine-1-carboxylic acid CAS Name: 3-(4-fluoro-2-methylphenyl)-2-[[(4-fluorophenyl)methyl-methylamino]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 3-(4-fluoro-2-methylphenyl)-2-[(4-fluorophenyl)methyl-methylcarbamoyl]piperazine-1-carboxylic acid Traditional Name: 2-[(4-fluorobenzyl)-methyl-carbamoyl]-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid Formula: C21H23F2N3O3 MolecularWeight: 403.422426

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F2N3O3/c1-13-11-16(23)7-8-17(13)18-19(26(21(28)29)10-9-24-18)20(27)25(2)12-14-3-5-15(22)6-4-14/h3-8,11,18-19,24H,9-10,12H2,1-2H3,(H,28,29)