3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-pyrrolidin-1-yl-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-pyrrolidin-1-yl-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)vinyl]-5-pyrrolidin-1-yl-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-(1-pyrrolidinyl)-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-pyrrolidin-1-yl-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)vinyl]-5-pyrrolidino-phthalide Formula: C48H53N5O2 MolecularWeight: 731.96672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=CC2(C3=C(C=CC(=C3)N4CCCC4)C(=O)O2)C=C(C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C)C7=CC=C(C=C7)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=CC2(C3=C(C=CC(=C3)N4CCCC4)C(=O)O2)C=C(C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C)C7=CC=C(C=C7)N(C)C

InChI

InChI=1S/C48H53N5O2/c1-49(2)38-19-11-34(12-20-38)44(35-13-21-39(22-14-35)50(3)4)32-48(46-31-42(53-29-9-10-30-53)27-28-43(46)47(54)55-48)33-45(36-15-23-40(24-16-36)51(5)6)37-17-25-41(26-18-37)52(7)8/h11-28,31-33H,9-10,29-30H2,1-8H3