3-[2,2-bis(1-ethyl-2-methyl-indol-3-yl)ethenyl]-3-(4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one

Systemtic Name: 3-[2,2-bis(1-ethyl-2-methyl-indol-3-yl)ethenyl]-3-(4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one Openeye Name: 3-[2,2-bis(1-ethyl-2-methyl-indol-3-yl)vinyl]-3-(4-pyrrolidin-1-ylphenyl)isobenzofuran-1-one CAS Name: 3-[2,2-bis(1-ethyl-2-methyl-3-indolyl)ethenyl]-3-[4-(1-pyrrolidinyl)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,2-bis(1-ethyl-2-methylindol-3-yl)ethenyl]-3-(4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one Traditional Name: 3-[2,2-bis(1-ethyl-2-methyl-indol-3-yl)vinyl]-3-(4-pyrrolidinophenyl)phthalide Formula: C42H41N3O2 MolecularWeight: 619.79384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(=CC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N6CCCC6)C7=C(N(C8=CC=CC=C87)CC)C)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(=CC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N6CCCC6)C7=C(N(C8=CC=CC=C87)CC)C)C

InChI

InChI=1S/C42H41N3O2/c1-5-44-28(3)39(33-16-8-11-19-37(33)44)35(40-29(4)45(6-2)38-20-12-9-17-34(38)40)27-42(36-18-10-7-15-32(36)41(46)47-42)30-21-23-31(24-22-30)43-25-13-14-26-43/h7-12,15-24,27H,5-6,13-14,25-26H2,1-4H3