[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O4/c1-24(14-16-5-10-20(28-2)19(23)13-16)21(26)15-29-22(27)17-6-8-18(9-7-17)25-11-3-4-12-25/h3-13H,14-15H2,1-2H3