3-[4,4-bis(1-ethyl-2-methyl-indol-3-yl)but-3-enyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one

Systemtic Name: 3-[4,4-bis(1-ethyl-2-methyl-indol-3-yl)but-3-enyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Openeye Name: 3-[4,4-bis(1-ethyl-2-methyl-indol-3-yl)but-3-enyl]-3-[4-(diethylamino)phenyl]isobenzofuran-1-one CAS Name: 3-[4,4-bis(1-ethyl-2-methyl-3-indolyl)but-3-enyl]-3-[4-(diethylamino)phenyl]-1-isobenzofuranone IUPAC Name: 3-[4,4-bis(1-ethyl-2-methylindol-3-yl)but-3-enyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3-[4,4-bis(1-ethyl-2-methyl-indol-3-yl)but-3-enyl]-3-[4-(diethylamino)phenyl]phthalide Formula: C44H47N3O2 MolecularWeight: 649.86288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(=CCCC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C6=C(N(C7=CC=CC=C76)CC)C)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(=CCCC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C6=C(N(C7=CC=CC=C76)CC)C)C

InChI

InChI=1S/C44H47N3O2/c1-7-45(8-2)33-27-25-32(26-28-33)44(38-22-14-11-18-34(38)43(48)49-44)29-17-21-37(41-30(5)46(9-3)39-23-15-12-19-35(39)41)42-31(6)47(10-4)40-24-16-13-20-36(40)42/h11-16,18-28H,7-10,17,29H2,1-6H3