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

Systemtic Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-[2-methyl-1-(phenylmethyl)indol-3-yl]-2-benzofuran-1-one Openeye Name: 3-(1-benzyl-2-methyl-indol-3-yl)-3-[2-butoxy-4-(diethylamino)phenyl]isobenzofuran-1-one CAS Name: 3-[2-butoxy-4-(diethylamino)phenyl]-3-[2-methyl-1-(phenylmethyl)-3-indolyl]-1-isobenzofuranone IUPAC Name: 3-(1-benzyl-2-methylindol-3-yl)-3-[2-butoxy-4-(diethylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3-(1-benzyl-2-methyl-indol-3-yl)-3-[2-butoxy-4-(diethylamino)phenyl]phthalide Formula: C38H40N2O3 MolecularWeight: 572.7358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N(CC)CC)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC6=CC=CC=C6)C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N(CC)CC)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC6=CC=CC=C6)C

InChI

InChI=1S/C38H40N2O3/c1-5-8-24-42-35-25-29(39(6-2)7-3)22-23-33(35)38(32-20-14-12-18-30(32)37(41)43-38)36-27(4)40(26-28-16-10-9-11-17-28)34-21-15-13-19-31(34)36/h9-23,25H,5-8,24,26H2,1-4H3