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

Systemtic Name: 3-[4-(dibutylamino)-2-phenylmethoxy-phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[2-benzyloxy-4-(dibutylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[4-(dibutylamino)-2-phenylmethoxyphenyl]-3-(1-ethyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[4-(dibutylamino)-2-phenylmethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[2-benzoxy-4-(dibutylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)phthalide Formula: C40H44N2O3 MolecularWeight: 600.78896

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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)OCC6=CC=CC=C6

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)OCC6=CC=CC=C6

InChI

InChI=1S/C40H44N2O3/c1-5-8-25-41(26-9-6-2)31-23-24-35(37(27-31)44-28-30-17-11-10-12-18-30)40(34-21-15-13-19-32(34)39(43)45-40)38-29(4)42(7-3)36-22-16-14-20-33(36)38/h10-24,27H,5-9,25-26,28H2,1-4H3