(phenylmethyl) 3-[(4-ethoxyphenyl)-phenyl-amino]-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate

Systemtic Name: (phenylmethyl) 3-[(4-ethoxyphenyl)-phenyl-amino]-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate Openeye Name: benzyl 3-(N-(4-ethoxyphenyl)anilino)-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxo-isobenzofuran-5-carboxylate CAS Name: 3-(N-(4-ethoxyphenyl)anilino)-3-(1-ethyl-2-methyl-3-indolyl)-1-oxo-5-isobenzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(N-(4-ethoxyphenyl)anilino)-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylate Traditional Name: 3-(1-ethyl-2-methyl-indol-3-yl)-1-keto-3-(N-p-phenetylanilino)phthalan-5-carboxylic acid benzyl ester Formula: C41H36N2O5 MolecularWeight: 636.73494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC(=C4)C(=O)OCC5=CC=CC=C5)C(=O)O3)N(C6=CC=CC=C6)C7=CC=C(C=C7)OCC)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=CC(=C4)C(=O)OCC5=CC=CC=C5)C(=O)O3)N(C6=CC=CC=C6)C7=CC=C(C=C7)OCC)C

InChI

InChI=1S/C41H36N2O5/c1-4-42-28(3)38(35-18-12-13-19-37(35)42)41(43(31-16-10-7-11-17-31)32-21-23-33(24-22-32)46-5-2)36-26-30(20-25-34(36)40(45)48-41)39(44)47-27-29-14-8-6-9-15-29/h6-26H,4-5,27H2,1-3H3