3-[4-(dibutylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(dibutylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[4-(dibutylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(dibutylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(dibutylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[4-(dibutylamino)-2-(3-ethoxypropoxy)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)phthalide Formula: C38H48N2O4 MolecularWeight: 596.79872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C)OCCCOCC

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C)OCCCOCC

InChI

InChI=1S/C38H48N2O4/c1-6-10-23-39(24-11-7-2)29-21-22-33(35(27-29)43-26-16-25-42-9-4)38(32-19-14-12-17-30(32)37(41)44-38)36-28(5)40(8-3)34-20-15-13-18-31(34)36/h12-15,17-22,27H,6-11,16,23-26H2,1-5H3