4-[[2,5-bis(chloranyl)phenyl]methylcarbamoyl]-3-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]methylcarbamoyl]-3-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-[(2,5-dichlorophenyl)methylcarbamoyl]-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-[[(2,5-dichlorophenyl)methylamino]-oxomethyl]-3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-[(2,5-dichlorophenyl)methylcarbamoyl]-3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-[(2,5-dichlorobenzyl)carbamoyl]-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid Formula: C20H20Cl2FN3O3 MolecularWeight: 440.295503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CN(CCN2C(=O)NCC3=C(C=CC(=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CN(CCN2C(=O)NCC3=C(C=CC(=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H20Cl2FN3O3/c1-12-8-15(23)3-4-16(12)18-11-25(20(28)29)6-7-26(18)19(27)24-10-13-9-14(21)2-5-17(13)22/h2-5,8-9,18H,6-7,10-11H2,1H3,(H,24,27)(H,28,29)