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

Systemtic Name: 3-[4-(diethylamino)-2-methyl-phenyl]-3-[2-methyl-1-(2-phenoxyethyl)indol-3-yl]-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-methyl-phenyl]-3-[2-methyl-1-(2-phenoxyethyl)indol-3-yl]isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-methylphenyl]-3-[2-methyl-1-(2-phenoxyethyl)-3-indolyl]-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-methylphenyl]-3-[2-methyl-1-(2-phenoxyethyl)indol-3-yl]-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-methyl-phenyl]-3-[2-methyl-1-(2-phenoxyethyl)indol-3-yl]phthalide Formula: C36H36N2O3 MolecularWeight: 544.68264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CCOC6=CC=CC=C6)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CCOC6=CC=CC=C6)C)C

InChI

InChI=1S/C36H36N2O3/c1-5-37(6-2)27-20-21-31(25(3)24-27)36(32-18-12-10-16-29(32)35(39)41-36)34-26(4)38(33-19-13-11-17-30(33)34)22-23-40-28-14-8-7-9-15-28/h7-21,24H,5-6,22-23H2,1-4H3