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

Systemtic Name: octyl 3-[(4-ethoxyphenyl)-phenyl-amino]-3-(1-ethyl-2-methyl-indol-3-yl)-1-oxidanylidene-2-benzofuran-5-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C42H46N2O5 MolecularWeight: 658.82504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2(C3=C(N(C4=CC=CC=C43)CC)C)N(C5=CC=CC=C5)C6=CC=C(C=C6)OCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2(C3=C(N(C4=CC=CC=C43)CC)C)N(C5=CC=CC=C5)C6=CC=C(C=C6)OCC

InChI

InChI=1S/C42H46N2O5/c1-5-8-9-10-11-17-28-48-40(45)31-22-27-35-37(29-31)42(49-41(35)46,39-30(4)43(6-2)38-21-16-15-20-36(38)39)44(32-18-13-12-14-19-32)33-23-25-34(26-24-33)47-7-3/h12-16,18-27,29H,5-11,17,28H2,1-4H3