3-[2,4-bis(ethylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-[2,4-bis(ethylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-[2,4-bis(ethylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)isobenzofuran-1-one CAS Name: 3-[2,4-bis(ethylamino)phenyl]-3-(1-ethyl-2-methyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-[2,4-bis(ethylamino)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-[2,4-bis(ethylamino)phenyl]-3-(1-ethyl-2-methyl-indol-3-yl)phthalide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C)NCC

Isomeric SMILES

CCNC1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C)NCC

InChI

InChI=1S/C29H31N3O2/c1-5-30-20-16-17-24(25(18-20)31-6-2)29(23-14-10-8-12-21(23)28(33)34-29)27-19(4)32(7-3)26-15-11-9-13-22(26)27/h8-18,30-31H,5-7H2,1-4H3