[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FN3O5/c1-13-4-3-5-17(20(13)24-14(2)26)21(29)30-12-19(28)25(11-10-18(23)27)16-8-6-15(22)7-9-16/h3-9H,10-12H2,1-2H3,(H2,23,27)(H,24,26)