methyl (2E)-2-[[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]methylidene]heptanoate

Systemtic Name: methyl (2E)-2-[[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]methylidene]heptanoate Openeye Name: methyl (2E)-2-[[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]methylene]heptanoate CAS Name: (2E)-2-[[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]methylidene]heptanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]methylidene]heptanoate Traditional Name: (E)-2-amyl-3-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]acrylic acid methyl ester Formula: C26H30FNO2 MolecularWeight: 407.520303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=C(C2=CC=CC=C2N1C(C)C)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCCCC/C(=C\C1=C(C2=CC=CC=C2N1C(C)C)C3=CC=C(C=C3)F)/C(=O)OC

InChI

InChI=1S/C26H30FNO2/c1-5-6-7-10-20(26(29)30-4)17-24-25(19-13-15-21(27)16-14-19)22-11-8-9-12-23(22)28(24)18(2)3/h8-9,11-18H,5-7,10H2,1-4H3/b20-17+