[2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C23H26FNO4 MolecularWeight: 399.455243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C2=CC=C(C=C2)F)C(=O)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C2=CC=C(C=C2)F)C(=O)N

InChI

InChI=1S/C23H26FNO4/c1-2-3-4-5-16-6-8-17(9-7-16)20(26)14-15-21(27)29-22(23(25)28)18-10-12-19(24)13-11-18/h6-13,22H,2-5,14-15H2,1H3,(H2,25,28)