[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H23FN2O5/c1-2-13-28-18-9-3-15(4-10-18)21(27)29-14-20(26)24(12-11-19(23)25)17-7-5-16(22)6-8-17/h3-10H,2,11-14H2,1H3,(H2,23,25)