1-[2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-1-benzopyran-4-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine Formula: C28H28FNO3 MolecularWeight: 445.525223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(CO2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(CO2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H28FNO3/c1-31-24-12-13-25-27(18-24)33-19-26(20-4-8-22(29)9-5-20)28(25)21-6-10-23(11-7-21)32-17-16-30-14-2-3-15-30/h4-13,18H,2-3,14-17,19H2,1H3