ethyl 4-[1-[(6-azanylpyridin-2-yl)methyl]-5-(4-fluorophenyl)pyrrol-2-yl]benzoate

Systemtic Name: ethyl 4-[1-[(6-azanylpyridin-2-yl)methyl]-5-(4-fluorophenyl)pyrrol-2-yl]benzoate Openeye Name: ethyl 4-[1-[(6-amino-2-pyridyl)methyl]-5-(4-fluorophenyl)pyrrol-2-yl]benzoate CAS Name: 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(4-fluorophenyl)-2-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(6-aminopyridin-2-yl)methyl]-5-(4-fluorophenyl)pyrrol-2-yl]benzoate Traditional Name: 4-[1-[(6-amino-2-pyridyl)methyl]-5-(4-fluorophenyl)pyrrol-2-yl]benzoic acid ethyl ester Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=CC=C3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=CC=C3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O2/c1-2-31-25(30)19-8-6-17(7-9-19)22-14-15-23(18-10-12-20(26)13-11-18)29(22)16-21-4-3-5-24(27)28-21/h3-15H,2,16H2,1H3,(H2,27,28)