[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C22H26FN3O4/c1-15(2)25-22(29)24-12-16-7-9-18(10-8-16)21(28)30-14-20(27)26(3)13-17-5-4-6-19(23)11-17/h4-11,15H,12-14H2,1-3H3,(H2,24,25,29)