dimethyl (E)-2-[2-[5-fluoranyl-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-yl-amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[2-[5-fluoranyl-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-yl-amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-isopropyl-amino]but-2-enedioate CAS Name: (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-ylamino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-ylamino]but-2-enedioate Traditional Name: (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-isopropyl-amino]but-2-enedioic acid dimethyl ester Formula: C21H27FN2O5 MolecularWeight: 406.447883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC1=C(C2=C(N1)C=CC(=C2)F)COC)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)N(CCC1=C(C2=C(N1)C=CC(=C2)F)COC)/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C21H27FN2O5/c1-13(2)24(19(21(26)29-5)11-20(25)28-4)9-8-18-16(12-27-3)15-10-14(22)6-7-17(15)23-18/h6-7,10-11,13,23H,8-9,12H2,1-5H3/b19-11+