[4-[7-[2-(4-fluorophenyl)-3-pyridin-4-yl-pyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizin-2-yl]phenyl] ethanoate

Systemtic Name: [4-[7-[2-(4-fluorophenyl)-3-pyridin-4-yl-pyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizin-2-yl]phenyl] ethanoate Openeye Name: [4-[7-[2-(4-fluorophenyl)-3-(4-pyridyl)pyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizin-2-yl]phenyl] acetate CAS Name: acetic acid [4-[7-[2-(4-fluorophenyl)-3-pyridin-4-yl-1-pyrrolyl]-1,2,3,5,6,8a-hexahydroindolizin-2-yl]phenyl] ester IUPAC Name: [4-[7-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizin-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[7-[2-(4-fluorophenyl)-3-(4-pyridyl)pyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizin-2-yl]phenyl] ester Formula: C31H28FN3O2 MolecularWeight: 493.571323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2CC3C=C(CCN3C2)N4C=CC(=C4C5=CC=C(C=C5)F)C6=CC=NC=C6

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2CC3C=C(CCN3C2)N4C=CC(=C4C5=CC=C(C=C5)F)C6=CC=NC=C6

InChI

InChI=1S/C31H28FN3O2/c1-21(36)37-29-8-4-22(5-9-29)25-18-28-19-27(12-16-34(28)20-25)35-17-13-30(23-10-14-33-15-11-23)31(35)24-2-6-26(32)7-3-24/h2-11,13-15,17,19,25,28H,12,16,18,20H2,1H3