ethyl (3S,5S)-5-diphenylphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate

Systemtic Name: ethyl (3S,5S)-5-diphenylphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate Openeye Name: ethyl (3S,5S)-5-diphenylphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate CAS Name: (3S,5S)-5-diphenylphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-5-diphenylphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate Traditional Name: (3S,5S)-5-diphenylphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylic acid ethyl ester Formula: C26H27N2O3P MolecularWeight: 446.477941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(C(=N1)C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1[C@@H](C[C@@H](C(=N1)C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N2O3P/c1-3-31-26(29)28-24(21-13-7-4-8-14-21)19-25(20(2)27-28)32(30,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25H,3,19H2,1-2H3/t24-,25-/m0/s1