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

Systemtic Name: 1-[(4-ethoxyphenyl)-phenyl-amino]-1-(1-ethyl-2-methyl-indol-3-yl)-3-oxidanylidene-2-benzofuran-5-carboxylate; 2,4,4-trimethylpentan-2-ylazanium Openeye Name: 1-(N-(4-ethoxyphenyl)anilino)-1-(1-ethyl-2-methyl-indol-3-yl)-3-oxo-isobenzofuran-5-carboxylate; 1,1,3,3-tetramethylbutylammonium CAS Name: 1-(N-(4-ethoxyphenyl)anilino)-1-(1-ethyl-2-methyl-3-indolyl)-3-oxo-5-isobenzofurancarboxylate; 2,4,4-trimethylpentan-2-ylammonium IUPAC Name: 1-(N-(4-ethoxyphenyl)anilino)-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylate; 2,4,4-trimethylpentan-2-ylazanium Traditional Name: 1-(1-ethyl-2-methyl-indol-3-yl)-3-keto-1-(N-p-phenetylanilino)phthalan-5-carboxylate; 1,1,3,3-tetramethylbutylammonium Formula: C42H49N3O5 MolecularWeight: 675.85556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=C(C=C4)C(=O)[O-])C(=O)O3)N(C5=CC=CC=C5)C6=CC=C(C=C6)OCC)C.CC(C)(C)CC(C)(C)[NH3+]

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=C(C=C4)C(=O)[O-])C(=O)O3)N(C5=CC=CC=C5)C6=CC=C(C=C6)OCC)C.CC(C)(C)CC(C)(C)[NH3+]

InChI

InChI=1S/C34H30N2O5.C8H19N/c1-4-35-22(3)31(27-13-9-10-14-30(27)35)34(29-20-15-23(32(37)38)21-28(29)33(39)41-34)36(24-11-7-6-8-12-24)25-16-18-26(19-17-25)40-5-2;1-7(2,3)6-8(4,5)9/h6-21H,4-5H2,1-3H3,(H,37,38);6,9H2,1-5H3