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

Systemtic Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-[4-(diethylamino)-2-(3-methoxypropoxy)phenyl]-2-benzofuran-1-one Openeye Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-[4-(diethylamino)-2-(3-methoxypropoxy)phenyl]isobenzofuran-1-one CAS Name: 3-(1-butyl-2-methyl-3-indolyl)-3-[4-(diethylamino)-2-(3-methoxypropoxy)phenyl]-1-isobenzofuranone IUPAC Name: 3-(1-butyl-2-methylindol-3-yl)-3-[4-(diethylamino)-2-(3-methoxypropoxy)phenyl]-2-benzofuran-1-one Traditional Name: 3-(1-butyl-2-methyl-indol-3-yl)-3-[4-(diethylamino)-2-(3-methoxypropoxy)phenyl]phthalide Formula: C35H42N2O4 MolecularWeight: 554.71898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCCOC)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCCCOC)C

InChI

InChI=1S/C35H42N2O4/c1-6-9-21-37-25(4)33(28-16-11-13-18-31(28)37)35(29-17-12-10-15-27(29)34(38)41-35)30-20-19-26(36(7-2)8-3)24-32(30)40-23-14-22-39-5/h10-13,15-20,24H,6-9,14,21-23H2,1-5H3