[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F)N3C=CC=C3

InChI

InChI=1S/C22H21FN2O3/c1-15-5-8-18(13-20(15)25-11-3-4-12-25)22(27)28-16(2)21(26)24-14-17-6-9-19(23)10-7-17/h3-13,16H,14H2,1-2H3,(H,24,26)