methyl 1-[4-(2-diphenylphosphanylnaphthalen-1-yl)quinazolin-2-yl]cyclobutane-1-carboxylate

Systemtic Name: methyl 1-[4-(2-diphenylphosphanylnaphthalen-1-yl)quinazolin-2-yl]cyclobutane-1-carboxylate Openeye Name: methyl 1-[4-(2-diphenylphosphanyl-1-naphthyl)quinazolin-2-yl]cyclobutanecarboxylate CAS Name: 1-[4-(2-diphenylphosphino-1-naphthalenyl)-2-quinazolinyl]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2-diphenylphosphanylnaphthalen-1-yl)quinazolin-2-yl]cyclobutane-1-carboxylate Traditional Name: 1-[4-(2-diphenylphosphino-1-naphthyl)quinazolin-2-yl]cyclobutanecarboxylic acid methyl ester Formula: C36H29N2O2P MolecularWeight: 552.601421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C1(CCC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H29N2O2P/c1-40-35(39)36(23-12-24-36)34-37-30-20-11-10-19-29(30)33(38-34)32-28-18-9-8-13-25(28)21-22-31(32)41(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-11,13-22H,12,23-24H2,1H3