3,3-bis(1-butyl-5-methoxy-indol-3-yl)-4,5,6-tris(chloranyl)-7-pyrrolidin-1-yl-2-benzofuran-1-one

Systemtic Name: 3,3-bis(1-butyl-5-methoxy-indol-3-yl)-4,5,6-tris(chloranyl)-7-pyrrolidin-1-yl-2-benzofuran-1-one Openeye Name: 3,3-bis(1-butyl-5-methoxy-indol-3-yl)-4,5,6-trichloro-7-pyrrolidin-1-yl-isobenzofuran-1-one CAS Name: 3,3-bis(1-butyl-5-methoxy-3-indolyl)-4,5,6-trichloro-7-(1-pyrrolidinyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(1-butyl-5-methoxyindol-3-yl)-4,5,6-trichloro-7-pyrrolidin-1-yl-2-benzofuran-1-one Traditional Name: 3,3-bis(1-butyl-5-methoxy-indol-3-yl)-4,5,6-trichloro-7-pyrrolidino-phthalide Formula: C38H40Cl3N3O4 MolecularWeight: 709.1009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)OC)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)N5CCCC5)C(=O)O3)C6=CN(C7=C6C=C(C=C7)OC)CCCC

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)OC)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)N5CCCC5)C(=O)O3)C6=CN(C7=C6C=C(C=C7)OC)CCCC

InChI

InChI=1S/C38H40Cl3N3O4/c1-5-7-15-43-21-27(25-19-23(46-3)11-13-29(25)43)38(28-22-44(16-8-6-2)30-14-12-24(47-4)20-26(28)30)32-31(37(45)48-38)36(42-17-9-10-18-42)35(41)34(40)33(32)39/h11-14,19-22H,5-10,15-18H2,1-4H3