methyl 3-[4-[(2-ethoxyphenyl)carbonylamino]butanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[4-[(2-ethoxyphenyl)carbonylamino]butanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-fluoro-benzoate CAS Name: 3-[[4-[[(2-ethoxyphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-fluorobenzoate Traditional Name: 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-fluoro-benzoic acid methyl ester Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C21H23FN2O5/c1-3-29-18-8-5-4-7-15(18)20(26)23-12-6-9-19(25)24-17-13-14(21(27)28-2)10-11-16(17)22/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,23,26)(H,24,25)