[4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-quinolin-2-yl]methyl-triphenyl-phosphanium

Systemtic Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-quinolin-2-yl]methyl-triphenyl-phosphanium Openeye Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-2-quinolyl]methyl-triphenyl-phosphonium CAS Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonyl-2-quinolinyl]methyl-triphenylphosphonium IUPAC Name: [4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-ethoxycarbonylquinolin-2-yl]methyl-triphenylphosphanium Traditional Name: [3-carbethoxy-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-quinolyl]methyl-triphenyl-phosphonium Formula: C43H43NO6P+ MolecularWeight: 700.778381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC)C6=CC(=C(C=C6)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC)C6=CC(=C(C=C6)OC)OC)OCC

InChI

InChI=1S/C43H43NO6P/c1-6-48-39-27-34-35(28-40(39)49-7-2)44-36(42(43(45)50-8-3)41(34)30-24-25-37(46-4)38(26-30)47-5)29-51(31-18-12-9-13-19-31,32-20-14-10-15-21-32)33-22-16-11-17-23-33/h9-28H,6-8,29H2,1-5H3/q+1