(phenylmethyl) 1-(2-diphenoxyphosphoryl-3-methanoyl-pyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-diphenoxyphosphoryl-3-methanoyl-pyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-(2-diphenoxyphosphoryl-3-formyl-pyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-diphenoxyphosphoryl-3-formyl-1-pyrrolidinyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-diphenoxyphosphoryl-3-formylpyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-diphenoxyphosphoryl-3-formyl-pyrrolidino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C34H33N2O6P MolecularWeight: 596.609381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C=O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4C5=CC=CC=C5CCN4C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(C1C=O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4C5=CC=CC=C5CCN4C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C34H33N2O6P/c37-24-28-21-22-35(33(28)43(39,41-29-15-6-2-7-16-29)42-30-17-8-3-9-18-30)32-31-19-11-10-14-27(31)20-23-36(32)34(38)40-25-26-12-4-1-5-13-26/h1-19,24,28,32-33H,20-23,25H2