[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H26FN3O4 MolecularWeight: 475.511443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C27H26FN3O4/c1-17-15-22(18(2)31(17)14-13-19-7-9-20(28)10-8-19)24(32)16-35-26(33)12-11-25-29-23-6-4-3-5-21(23)27(34)30-25/h3-10,15H,11-14,16H2,1-2H3,(H,29,30,34)