[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O3/c28-22-11-13-23(14-12-22)31-19-29-17-25(31)27(33)34-18-26(32)30-16-15-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,17,19,24H,15-16,18H2,(H,30,32)