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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H23FN2O4/c1-12(2)18(24-19(25)15-7-5-6-8-16(15)22)20(26)23-17-10-9-14(11-13(17)3)21(27)28-4/h5-12,18H,1-4H3,(H,23,26)(H,24,25)