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

Systemtic Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C30H27FN2O4 MolecularWeight: 498.544783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H27FN2O4/c1-20-17-26(21(2)33(20)25-15-13-24(31)14-16-25)28(34)19-37-29(35)18-27(22-9-5-3-6-10-22)32-30(36)23-11-7-4-8-12-23/h3-17,27H,18-19H2,1-2H3,(H,32,36)