1-[2-[4-[(E)-2-(4-butylphenyl)ethenyl]phenyl]-6-methyl-1,3-dioxan-4-yl]-4-[[1-methyl-3-(methylamino)-2,3-dihydro-1H-isoindol-4-yl]oxy]butan-2-ol

Systemtic Name: 1-[2-[4-[(E)-2-(4-butylphenyl)ethenyl]phenyl]-6-methyl-1,3-dioxan-4-yl]-4-[[1-methyl-3-(methylamino)-2,3-dihydro-1H-isoindol-4-yl]oxy]butan-2-ol Openeye Name: 1-[2-[4-[(E)-2-(4-butylphenyl)vinyl]phenyl]-6-methyl-1,3-dioxan-4-yl]-4-[1-methyl-3-(methylamino)isoindolin-4-yl]oxy-butan-2-ol CAS Name: 1-[2-[4-[(E)-2-(4-butylphenyl)ethenyl]phenyl]-6-methyl-1,3-dioxan-4-yl]-4-[[1-methyl-3-(methylamino)-2,3-dihydro-1H-isoindol-4-yl]oxy]-2-butanol IUPAC Name: 1-[2-[4-[(E)-2-(4-butylphenyl)ethenyl]phenyl]-6-methyl-1,3-dioxan-4-yl]-4-[[1-methyl-3-(methylamino)-2,3-dihydro-1H-isoindol-4-yl]oxy]butan-2-ol Traditional Name: 1-[2-[4-[(E)-2-(4-butylphenyl)vinyl]phenyl]-6-methyl-1,3-dioxan-4-yl]-4-[1-methyl-3-(methylamino)isoindolin-4-yl]oxy-butan-2-ol Formula: C37H48N2O4 MolecularWeight: 584.78802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3OC(CC(O3)CC(CCOC4=CC=CC5=C4C(NC5C)NC)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C3OC(CC(O3)CC(CCOC4=CC=CC5=C4C(NC5C)NC)O)C

InChI

InChI=1S/C37H48N2O4/c1-5-6-8-27-11-13-28(14-12-27)15-16-29-17-19-30(20-18-29)37-42-25(2)23-32(43-37)24-31(40)21-22-41-34-10-7-9-33-26(3)39-36(38-4)35(33)34/h7,9-20,25-26,31-32,36-40H,5-6,8,21-24H2,1-4H3/b16-15+