methyl phosphate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl phosphate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl phosphate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: methyl phosphate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: methyl phosphate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: methyl phosphate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Formula: C17H17NO6P-3 MolecularWeight: 362.293741

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)([O-])[O-].C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

COP(=O)([O-])[O-].C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H15NO2.CH5O4P/c18-16(19)17-11-10-12-6-4-5-9-14(12)15(17)13-7-2-1-3-8-13;1-5-6(2,3)4/h1-9,15H,10-11H2,(H,18,19);1H3,(H2,2,3,4)/p-3