3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-4-octyl-1H-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-4-octyl-1H-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-4-octyl-1H-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-4-octyl-1H-indol-3-yl)-1-isobenzofuranone IUPAC Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-4-octyl-1H-indol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-4-octyl-1H-indol-3-yl)phthalide Formula: C39H50N2O3 MolecularWeight: 594.8259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC=C1)NC(=C2C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCCC)C

Isomeric SMILES

CCCCCCCCC1=C2C(=CC=C1)NC(=C2C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCCC)C

InChI

InChI=1S/C39H50N2O3/c1-6-10-12-13-14-15-19-29-20-18-23-34-36(29)37(28(5)40-34)39(32-22-17-16-21-31(32)38(42)44-39)33-25-24-30(41(8-3)9-4)27-35(33)43-26-11-7-2/h16-18,20-25,27,40H,6-15,19,26H2,1-5H3