methyl 4-[[[2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]methyl]benzoic acid methyl ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H23FN2O4/c1-13(2)18(24-19(25)15-8-10-17(22)11-9-15)20(26)23-12-14-4-6-16(7-5-14)21(27)28-3/h4-11,13,18H,12H2,1-3H3,(H,23,26)(H,24,25)