[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H21ClFN3O5 MolecularWeight: 449.859943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=C(C=CC=C2Cl)F)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=C(C=CC=C2Cl)F)NC(=O)C

InChI

InChI=1S/C21H21ClFN3O5/c1-12(27)24-15-7-14(8-16(9-15)25-13(2)28)21(30)31-11-20(29)26(3)10-17-18(22)5-4-6-19(17)23/h4-9H,10-11H2,1-3H3,(H,24,27)(H,25,28)