3-[(4-ethoxyphenyl)-phenyl-amino]-3-(1-methylpyrrol-2-yl)-2-benzofuran-1-one

Systemtic Name: 3-[(4-ethoxyphenyl)-phenyl-amino]-3-(1-methylpyrrol-2-yl)-2-benzofuran-1-one Openeye Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(1-methylpyrrol-2-yl)isobenzofuran-1-one CAS Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(1-methyl-2-pyrrolyl)-1-isobenzofuranone IUPAC Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(1-methylpyrrol-2-yl)-2-benzofuran-1-one Traditional Name: 3-(1-methylpyrrol-2-yl)-3-(N-p-phenetylanilino)phthalide Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C2=CC=CC=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=CN5C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C2=CC=CC=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=CN5C

InChI

InChI=1S/C27H24N2O3/c1-3-31-22-17-15-21(16-18-22)29(20-10-5-4-6-11-20)27(25-14-9-19-28(25)2)24-13-8-7-12-23(24)26(30)32-27/h4-19H,3H2,1-2H3