methyl 5-[[[2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O5/c1-13(2)19(25-20(26)15-6-8-16(23)9-7-15)21(27)24-12-14-5-10-18(29-3)17(11-14)22(28)30-4/h5-11,13,19H,12H2,1-4H3,(H,24,27)(H,25,26)