3-[2,2-bis(1-butyl-2-methyl-indol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one

Systemtic Name: 3-[2,2-bis(1-butyl-2-methyl-indol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Openeye Name: 3-[2,2-bis(1-butyl-2-methyl-indol-3-yl)vinyl]-3-[4-(diethylamino)phenyl]isobenzofuran-1-one CAS Name: 3-[2,2-bis(1-butyl-2-methyl-3-indolyl)ethenyl]-3-[4-(diethylamino)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,2-bis(1-butyl-2-methylindol-3-yl)ethenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3-[2,2-bis(1-butyl-2-methyl-indol-3-yl)vinyl]-3-[4-(diethylamino)phenyl]phthalide Formula: C46H51N3O2 MolecularWeight: 677.91604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C(=CC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C6=C(N(C7=CC=CC=C76)CCCC)C)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(=CC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C6=C(N(C7=CC=CC=C76)CCCC)C)C

InChI

InChI=1S/C46H51N3O2/c1-7-11-29-48-32(5)43(37-20-14-17-23-41(37)48)39(44-33(6)49(30-12-8-2)42-24-18-15-21-38(42)44)31-46(40-22-16-13-19-36(40)45(50)51-46)34-25-27-35(28-26-34)47(9-3)10-4/h13-28,31H,7-12,29-30H2,1-6H3